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

C18H13ClN2O3S — CID 39200227

IUPAC2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(NC(=O)c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN2O3S/c19-13-8-6-11(7-9-13)16-14(10-15(22)23)25-18(20-16)21-17(24)12-4-2-1-3-5-12/h1-9H,10H2,(H,22,23)(H,20,21,24)
InChIKeyOWYDPFUNZMCXCQ-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.34
Rot. Bonds5

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

2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 39200227) has the molecular formula C18H13ClN2O3S and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID39200227
Molecular FormulaC18H13ClN2O3S
Molecular Weight372.83 g/mol
Exact Mass372.03
IUPAC Name2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(NC(=O)c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN2O3S/c19-13-8-6-11(7-9-13)16-14(10-15(22)23)25-18(20-16)21-17(24)12-4-2-1-3-5-12/h1-9H,10H2,(H,22,23)(H,20,21,24)
InChIKeyOWYDPFUNZMCXCQ-UHFFFAOYSA-N
XLogP4.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-methylbenzoyl)amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200245
2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200223
2-[4-(4-fluorophenyl)-2-[(4-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 39200247
2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 100950880
2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058764
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 19226447
2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 35211552
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
2-[2-acetamido-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199983
2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199975
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054

Frequently Asked Questions

What is the IUPAC name of 2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid (CID 39200227) is 2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(NC(=O)c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is OWYDPFUNZMCXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3S/c19-13-8-6-11(7-9-13)16-14(10-15(22)23)25-18(20-16)21-17(24)12-4-2-1-3-5-12/h1-9H,10H2,(H,22,23)(H,20,21,24).
What are the key properties of 2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 372.83 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 39200227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).