2-[2-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid

C18H20N2O3S — CID 119218384

IUPAC2-[2-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid
SMILESCc1nc(C2CCCC2)sc1C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C18H20N2O3S/c1-11-16(24-18(19-11)12-6-2-3-7-12)17(23)20-14-9-5-4-8-13(14)10-15(21)22/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyQSNCTHJLTLTXGI-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.99
Rot. Bonds5

About 2-[2-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid

2-[2-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid (PubChem CID 119218384) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-[2-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid
PubChem CID119218384
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-[2-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid
SMILESCc1nc(C2CCCC2)sc1C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C18H20N2O3S/c1-11-16(24-18(19-11)12-6-2-3-7-12)17(23)20-14-9-5-4-8-13(14)10-15(21)22/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyQSNCTHJLTLTXGI-UHFFFAOYSA-N
XLogP3.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenoxy]acetic acid
CID 119224780
2-cyclopropyl-N-(2,6-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110694430
7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 119227413
2-cyclopropyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110694378
2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503859
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid
CID 154845596
1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176594
2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119437898
2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944395
N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119612126
2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119433713

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid (CID 119218384) is 2-[2-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid is Cc1nc(C2CCCC2)sc1C(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid?
The InChIKey is QSNCTHJLTLTXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-11-16(24-18(19-11)12-6-2-3-7-12)17(23)20-14-9-5-4-8-13(14)10-15(21)22/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[2-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid?
2-[2-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid has a molecular weight of 344.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 119218384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).