2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid

C15H16ClNO2S — CID 62071690

IUPAC2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
SMILESCc1ncsc1CCC(Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C15H16ClNO2S/c1-10-14(20-9-17-10)7-4-12(15(18)19)8-11-2-5-13(16)6-3-11/h2-3,5-6,9,12H,4,7-8H2,1H3,(H,18,19)
InChIKeyWADMDUWRIZSQME-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.98
Rot. Bonds6

About 2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid

2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid (PubChem CID 62071690) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
PubChem CID62071690
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
SMILESCc1ncsc1CCC(Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C15H16ClNO2S/c1-10-14(20-9-17-10)7-4-12(15(18)19)8-11-2-5-13(16)6-3-11/h2-3,5-6,9,12H,4,7-8H2,1H3,(H,18,19)
InChIKeyWADMDUWRIZSQME-UHFFFAOYSA-N
XLogP3.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic 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-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62515744
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679631
1-(4-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718503
5-[3-(chloromethyl)-4-(4-methoxyphenyl)butyl]-4-methyl-1,3-thiazole
CID 66036397
2-[(4-chlorophenyl)methyl]tetradecanoic acid
CID 175281665
6-amino-2-[(4-chlorophenyl)methyl]hexanoic acid
CID 104681512
1-(4-chlorophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one
CID 63838727
1-(4-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62029259
(2S)-2-[(4-chlorophenyl)methyl]butanedioic acid
CID 911262
2-[(4-chlorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
CID 115982233
2-[2-(4-chlorophenyl)ethyl]-4-phenylbutanoic acid
CID 70553032
2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]propanoic acid
CID 105344837

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid (CID 62071690) is 2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid is Cc1ncsc1CCC(Cc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
The InChIKey is WADMDUWRIZSQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-10-14(20-9-17-10)7-4-12(15(18)19)8-11-2-5-13(16)6-3-11/h2-3,5-6,9,12H,4,7-8H2,1H3,(H,18,19).
What are the key properties of 2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid has a molecular weight of 309.82 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid is sourced from PubChem (CID 62071690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).