2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide

C16H16ClN3O2S — CID 51943430

IUPAC2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@H]1CCCCNC1=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H16ClN3O2S/c17-11-6-4-10(5-7-11)16-20-13(9-23-16)15(22)19-12-3-1-2-8-18-14(12)21/h4-7,9,12H,1-3,8H2,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyYXVMPVHAPDSDMM-LBPRGKRZSA-N
MW349.84 g/mol
LogP2.86
Rot. Bonds3

About 2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide

2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 51943430) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID51943430
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@H]1CCCCNC1=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H16ClN3O2S/c17-11-6-4-10(5-7-11)16-20-13(9-23-16)15(22)19-12-3-1-2-8-18-14(12)21/h4-7,9,12H,1-3,8H2,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyYXVMPVHAPDSDMM-LBPRGKRZSA-N
XLogP2.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
2-benzyl-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide
CID 70718250
N-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97152900
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676152
N-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 94130735
2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide
CID 113257291
2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide
CID 110021576
1-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide
CID 5041512
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide
CID 39084543
2-[1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide
CID 3431250
5-chloro-N-[(3R)-2-oxopiperidin-3-yl]thiophene-2-carboxamide
CID 95048356

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide (CID 51943430) is 2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide is O=C(N[C@H]1CCCCNC1=O)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is YXVMPVHAPDSDMM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c17-11-6-4-10(5-7-11)16-20-13(9-23-16)15(22)19-12-3-1-2-8-18-14(12)21/h4-7,9,12H,1-3,8H2,(H,18,21)(H,19,22)/t12-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 349.84 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51943430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).