3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide

C12H10ClN3O3S2 — CID 2985108

IUPAC3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C12H10ClN3O3S2/c13-8-1-3-9(4-2-8)20-6-5-10(17)15-12-14-7-11(21-12)16(18)19/h1-4,7H,5-6H2,(H,14,15,17)
InChIKeyCSAZHDHVWMTJDR-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.83
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide

3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide (PubChem CID 2985108) has the molecular formula C12H10ClN3O3S2 and a molecular weight of 343.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide
PubChem CID2985108
Molecular FormulaC12H10ClN3O3S2
Molecular Weight343.82 g/mol
Exact Mass342.99
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C12H10ClN3O3S2/c13-8-1-3-9(4-2-8)20-6-5-10(17)15-12-14-7-11(21-12)16(18)19/h1-4,7H,5-6H2,(H,14,15,17)
InChIKeyCSAZHDHVWMTJDR-UHFFFAOYSA-N
XLogP3.83
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-nitro-1,3-thiazol-2-yl)-3-phenylsulfanylpropanamide
CID 2973288
N'-(4-chlorophenyl)sulfonyl-N-(5-nitro-1,3-thiazol-2-yl)pentanediamide
CID 15741049
4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 2092099
6-[(5-nitro-1,3-thiazol-2-yl)amino]-6-oxohexanoic acid
CID 15741046
2-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3619772
3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2679359
2-(4-chlorophenyl)sulfanyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide
CID 3268294
2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3390048
3-(4-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 47366040
sodium 5-nitro-2-[(2-sulfosulfanylacetyl)amino]-1,3-thiazole
CID 126460340
methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103641
tert-butyl N-[4-[(5-nitro-1,3-thiazol-2-yl)amino]-4-oxobutyl]carbamate
CID 175095293

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide (CID 2985108) is 3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide is O=C(CCSc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide?
The InChIKey is CSAZHDHVWMTJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3S2/c13-8-1-3-9(4-2-8)20-6-5-10(17)15-12-14-7-11(21-12)16(18)19/h1-4,7H,5-6H2,(H,14,15,17).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide?
3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide has a molecular weight of 343.82 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2985108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).