N-[4-(4-nitro-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide

CAS: 58139-58-5

Molecular Formula	`C9H8N4O3S`
Molecular Weight	252.25 g/mol
LogP	0.8
Topological Polar Surface Area	132.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	252.03171
Heavy Atoms	17
Complexity	322.0

Chemical Identifiers

CAS Number	58139-58-5
SMILES	`CC(=O)NC1=NC(=CS1)C2=CC(=CN2)[N+](=O)[O-]`
InChIKey	`XCOQAFYSNOUYJX-UHFFFAOYSA-N`

📖 Product Overview

N-[4-(4-nitro-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide (CAS: 58139-58-5) is a chemical compound with molecular formula C9H8N4O3S and molecular weight 252.25 g/mol. Its IUPAC systematic name is N-[4-(4-nitro-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetamide. LogP 0.8 Topological Polar Surface Area 132.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 252.03171 Heavy Atoms 17 Complexity 322.0 InChI Key: XCOQAFYSNOUYJX-UHFFFAOYSA-N. SMILES: CC(=O)NC1=NC(=CS1)C2=CC(=CN2)[N+](=O)[O-].

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