N-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide

C16H18ClN3O2S — CID 46113972

IUPACN-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide
SMILESCCCCNC(=O)c1csc(NC(=O)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H18ClN3O2S/c1-2-3-8-18-15(22)13-10-23-16(19-13)20-14(21)9-11-4-6-12(17)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyHSYGGTYZKOZBBI-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.51
Rot. Bonds7

About N-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide

N-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 46113972) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID46113972
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC NameN-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide
SMILESCCCCNC(=O)c1csc(NC(=O)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H18ClN3O2S/c1-2-3-8-18-15(22)13-10-23-16(19-13)20-14(21)9-11-4-6-12(17)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyHSYGGTYZKOZBBI-UHFFFAOYSA-N
XLogP3.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 26469275
N-(2-hydroxyethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555751
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3974707
2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 122182342
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
ethyl 2-[2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3826746
N-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555627
2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30273255
2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109094306
N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555777

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide (CID 46113972) is N-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide is CCCCNC(=O)c1csc(NC(=O)Cc2ccc(Cl)cc2)n1.
What is the InChIKey of N-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is HSYGGTYZKOZBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-2-3-8-18-15(22)13-10-23-16(19-13)20-14(21)9-11-4-6-12(17)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of N-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide?
N-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 351.86 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46113972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).