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

C15H14ClNO2S — CID 82436126

IUPAC2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Cc2ccc(Cl)cc2)nc1C1CC1
InChIInChI=1S/C15H14ClNO2S/c16-11-5-1-9(2-6-11)7-13-17-15(10-3-4-10)12(20-13)8-14(18)19/h1-2,5-6,10H,3-4,7-8H2,(H,18,19)
InChIKeyPAZFBHMRBLPJKD-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.89
Rot. Bonds5

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

2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82436126) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid
PubChem CID82436126
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Cc2ccc(Cl)cc2)nc1C1CC1
InChIInChI=1S/C15H14ClNO2S/c16-11-5-1-9(2-6-11)7-13-17-15(10-3-4-10)12(20-13)8-14(18)19/h1-2,5-6,10H,3-4,7-8H2,(H,18,19)
InChIKeyPAZFBHMRBLPJKD-UHFFFAOYSA-N
XLogP3.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid
CID 82436091
[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436119
2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid
CID 82436026
2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82437537
2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile
CID 82436090
2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile
CID 82436288
2-[4-methyl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82094233
[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436143
2-[(4-chlorophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360231
2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82437854
N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367802
[2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 82437189

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid (CID 82436126) is 2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(Cc2ccc(Cl)cc2)nc1C1CC1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is PAZFBHMRBLPJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c16-11-5-1-9(2-6-11)7-13-17-15(10-3-4-10)12(20-13)8-14(18)19/h1-2,5-6,10H,3-4,7-8H2,(H,18,19).
What are the key properties of 2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid?
2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 307.80 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82436126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).