cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid

C16H15ClN2O3S — CID 120676152

IUPACcis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H15ClN2O3S/c17-11-4-1-9(2-5-11)15-19-13(8-23-15)14(20)18-12-6-3-10(7-12)16(21)22/h1-2,4-5,8,10,12H,3,6-7H2,(H,18,20)(H,21,22)/t10-,12+/m0/s1
InChIKeyRGOKIWHYSDBMEB-CMPLNLGQSA-N
MW350.83 g/mol
LogP3.45
Rot. Bonds4

About cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120676152) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120676152
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Namecis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H15ClN2O3S/c17-11-4-1-9(2-5-11)15-19-13(8-23-15)14(20)18-12-6-3-10(7-12)16(21)22/h1-2,4-5,8,10,12H,3,6-7H2,(H,18,20)(H,21,22)/t10-,12+/m0/s1
InChIKeyRGOKIWHYSDBMEB-CMPLNLGQSA-N
XLogP3.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
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CID 119229160
cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678603
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
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CID 46455913
N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 34424164
1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 119175795
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide
CID 51943430
2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46565883
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
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2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120676152) is cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid is O=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is RGOKIWHYSDBMEB-CMPLNLGQSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c17-11-4-1-9(2-5-11)15-19-13(8-23-15)14(20)18-12-6-3-10(7-12)16(21)22/h1-2,4-5,8,10,12H,3,6-7H2,(H,18,20)(H,21,22)/t10-,12+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 350.83 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).