cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid

C17H17ClN2O3S — CID 120678603

IUPACcis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1csc(-c2ccc(Cl)cc2)n1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C17H17ClN2O3S/c18-12-4-1-10(2-5-12)16-20-14(9-24-16)8-15(21)19-13-6-3-11(7-13)17(22)23/h1-2,4-5,9,11,13H,3,6-8H2,(H,19,21)(H,22,23)/t11-,13+/m1/s1
InChIKeyXNGOUTQDXKWIRB-YPMHNXCESA-N
MW364.85 g/mol
LogP3.38
Rot. Bonds5

About cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120678603) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120678603
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Namecis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1csc(-c2ccc(Cl)cc2)n1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C17H17ClN2O3S/c18-12-4-1-10(2-5-12)16-20-14(9-24-16)8-15(21)19-13-6-3-11(7-13)17(22)23/h1-2,4-5,9,11,13H,3,6-8H2,(H,19,21)(H,22,23)/t11-,13+/m1/s1
InChIKeyXNGOUTQDXKWIRB-YPMHNXCESA-N
XLogP3.38
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676085
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide
CID 39084543
cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676152
cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675846
cis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120679060
4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229272
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide
CID 9053665
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119906545
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171
N-cyclohexyl-2-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 135734499
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55512787
3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119220562

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid (CID 120678603) is cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is XNGOUTQDXKWIRB-YPMHNXCESA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c18-12-4-1-10(2-5-12)16-20-14(9-24-16)8-15(21)19-13-6-3-11(7-13)17(22)23/h1-2,4-5,9,11,13H,3,6-8H2,(H,19,21)(H,22,23)/t11-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 364.85 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).