trans-(1R,3R)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid

C17H14ClN3O3S — CID 25261417

IUPACtrans-(1R,3R)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESN#Cc1sc(NC(=O)[C@@H]2CC[C@@H](C(=O)O)C2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O3S/c18-12-3-1-2-9(7-12)14-13(8-19)25-17(20-14)21-15(22)10-4-5-11(6-10)16(23)24/h1-3,7,10-11H,4-6H2,(H,23,24)(H,20,21,22)/t10-,11-/m1/s1
InChIKeyHJDIPCNGYALNFF-GHMZBOCLSA-N
MW375.84 g/mol
LogP3.77
Rot. Bonds4

About trans-(1R,3R)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid

trans-(1R,3R)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 25261417) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is trans-(1R,3R)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID25261417
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC Nametrans-(1R,3R)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESN#Cc1sc(NC(=O)[C@@H]2CC[C@@H](C(=O)O)C2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O3S/c18-12-3-1-2-9(7-12)14-13(8-19)25-17(20-14)21-15(22)10-4-5-11(6-10)16(23)24/h1-3,7,10-11H,4-6H2,(H,23,24)(H,20,21,22)/t10-,11-/m1/s1
InChIKeyHJDIPCNGYALNFF-GHMZBOCLSA-N
XLogP3.77
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,3R)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,3R)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid (CID 25261417) is trans-(1R,3R)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3R)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3R)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid is N#Cc1sc(NC(=O)[C@@H]2CC[C@@H](C(=O)O)C2)nc1-c1cccc(Cl)c1.
What is the InChIKey of trans-(1R,3R)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is HJDIPCNGYALNFF-GHMZBOCLSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c18-12-3-1-2-9(7-12)14-13(8-19)25-17(20-14)21-15(22)10-4-5-11(6-10)16(23)24/h1-3,7,10-11H,4-6H2,(H,23,24)(H,20,21,22)/t10-,11-/m1/s1.
What are the key properties of trans-(1R,3R)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
trans-(1R,3R)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 375.84 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 25261417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).