2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide

C15H16ClN3O3S — CID 53257805

IUPAC2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESCC(C)C(C(=O)Nc1ncc(C(=O)NO)s1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O3S/c1-8(2)12(9-3-5-10(16)6-4-9)14(21)18-15-17-7-11(23-15)13(20)19-22/h3-8,12,22H,1-2H3,(H,19,20)(H,17,18,21)
InChIKeyJYQRBQBOIHLHRZ-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.29
Rot. Bonds5

About 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide

2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide (PubChem CID 53257805) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide
PubChem CID53257805
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESCC(C)C(C(=O)Nc1ncc(C(=O)NO)s1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O3S/c1-8(2)12(9-3-5-10(16)6-4-9)14(21)18-15-17-7-11(23-15)13(20)19-22/h3-8,12,22H,1-2H3,(H,19,20)(H,17,18,21)
InChIKeyJYQRBQBOIHLHRZ-UHFFFAOYSA-N
XLogP3.29
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-2-(2-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 53257806
(2S)-2-(4-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
CID 8503003
2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide
CID 46226160
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide
CID 46226178
2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide
CID 4868536
2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide
CID 46226142
(2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
CID 9210800
(2S)-2-(4-chlorophenyl)-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 40891449
methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103549
(2S)-2-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
CID 46226290
(2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
CID 25438052
2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide (CID 53257805) is 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide is CC(C)C(C(=O)Nc1ncc(C(=O)NO)s1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide?
The InChIKey is JYQRBQBOIHLHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c1-8(2)12(9-3-5-10(16)6-4-9)14(21)18-15-17-7-11(23-15)13(20)19-22/h3-8,12,22H,1-2H3,(H,19,20)(H,17,18,21).
What are the key properties of 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide?
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide has a molecular weight of 353.83 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53257805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).