trans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid

C20H21N3O4S — CID 87484684

IUPACtrans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CC1)c1ccc(-c2csc(NC(=O)[C@@H]3CCC[C@H]3C(=O)O)n2)cc1
InChIInChI=1S/C20H21N3O4S/c24-17(21-13-8-9-13)12-6-4-11(5-7-12)16-10-28-20(22-16)23-18(25)14-2-1-3-15(14)19(26)27/h4-7,10,13-15H,1-3,8-9H2,(H,21,24)(H,26,27)(H,22,23,25)/t14-,15-/m1/s1
InChIKeyVSUGCHXFPRVRGE-HUUCEWRRSA-N
MW399.47 g/mol
LogP3.14
Rot. Bonds6

About trans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid

trans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 87484684) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID87484684
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Nametrans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CC1)c1ccc(-c2csc(NC(=O)[C@@H]3CCC[C@H]3C(=O)O)n2)cc1
InChIInChI=1S/C20H21N3O4S/c24-17(21-13-8-9-13)12-6-4-11(5-7-12)16-10-28-20(22-16)23-18(25)14-2-1-3-15(14)19(26)27/h4-7,10,13-15H,1-3,8-9H2,(H,21,24)(H,26,27)(H,22,23,25)/t14-,15-/m1/s1
InChIKeyVSUGCHXFPRVRGE-HUUCEWRRSA-N
XLogP3.14
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-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

Related Compounds

2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 4551012
cis-(1S,2R)-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1000957
trans-(1S,2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1226249
2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 59140914
(2S)-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 59140919
1-N-benzyl-2-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 76582843
cis-(1S,2R)-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate
CID 6958915
benzyl 2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]azetidine-1-carboxylate
CID 76582851
N-cyclopentyl-4-(2-ethyl-1,3-thiazol-4-yl)benzamide
CID 53037643
(1R,6R)-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 996347
(1S,6S)-6-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1221076
1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea
CID 62698343

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid (CID 87484684) is trans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid is O=C(NC1CC1)c1ccc(-c2csc(NC(=O)[C@@H]3CCC[C@H]3C(=O)O)n2)cc1.
What is the InChIKey of trans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is VSUGCHXFPRVRGE-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-17(21-13-8-9-13)12-6-4-11(5-7-12)16-10-28-20(22-16)23-18(25)14-2-1-3-15(14)19(26)27/h4-7,10,13-15H,1-3,8-9H2,(H,21,24)(H,26,27)(H,22,23,25)/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid?
trans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 399.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 87484684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).