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

C18H15ClN2O3S — CID 1208785

IUPAC2-[4-(4-chlorophenyl)-2-(2-methoxyanilino)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccccc1Nc1nc(-c2ccc(Cl)cc2)c(CC(=O)O)s1
InChIInChI=1S/C18H15ClN2O3S/c1-24-14-5-3-2-4-13(14)20-18-21-17(15(25-18)10-16(22)23)11-6-8-12(19)9-7-11/h2-9H,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyDYKPYWVCIMAHOU-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.84
Rot. Bonds6

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

2-[4-(4-chlorophenyl)-2-(2-methoxyanilino)-1,3-thiazol-5-yl]acetic acid (PubChem CID 1208785) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-(2-methoxyanilino)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-(2-methoxyanilino)-1,3-thiazol-5-yl]acetic acid
PubChem CID1208785
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Name2-[4-(4-chlorophenyl)-2-(2-methoxyanilino)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccccc1Nc1nc(-c2ccc(Cl)cc2)c(CC(=O)O)s1
InChIInChI=1S/C18H15ClN2O3S/c1-24-14-5-3-2-4-13(14)20-18-21-17(15(25-18)10-16(22)23)11-6-8-12(19)9-7-11/h2-9H,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyDYKPYWVCIMAHOU-UHFFFAOYSA-N
XLogP4.84
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-{2-[(2-Methoxyphenyl)amino]-4-phenyl-1,3-thiazol-5-yl}acetic acid
CID 4095384
5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-(phenylamino)-
CID 184853
4-(4-chlorophenyl)-N-(4-methoxyphenyl)thiazol-2-amine
CID 768022
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 722563
4-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 972713
2-(4-(4-Phenoxyphenyl)-2-(phenylamino)thiazol-5-yl)acetic acid
CID 2178182
2-(2-(2-Chlorophenylamino)-4-(4-phenoxyphenyl)thiazol-5-yl)acetic acid
CID 3145335
2-(2-(2-Methoxyphenylamino)-4-(4-phenoxyphenyl)thiazol-5-yl)acetic acid
CID 3145349
2-[2-(2-Ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 3145370
2-(2-(4-Methoxyphenylamino)-4-phenylthiazol-5-yl)acetic acid
CID 4100224
2-(4-(4-Chlorophenyl)-2-(p-tolylamino)thiazol-5-yl)acetic acid
CID 15422467
2-(4-(Biphenyl-4-yl)-2-(2-methoxyphenylamino)thiazol-5-yl)acetic acid
CID 46230336

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-(2-methoxyanilino)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-(2-methoxyanilino)-1,3-thiazol-5-yl]acetic acid (CID 1208785) is 2-[4-(4-chlorophenyl)-2-(2-methoxyanilino)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-(2-methoxyanilino)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-(2-methoxyanilino)-1,3-thiazol-5-yl]acetic acid is COc1ccccc1Nc1nc(-c2ccc(Cl)cc2)c(CC(=O)O)s1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-(2-methoxyanilino)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is DYKPYWVCIMAHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c1-24-14-5-3-2-4-13(14)20-18-21-17(15(25-18)10-16(22)23)11-6-8-12(19)9-7-11/h2-9H,10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[4-(4-chlorophenyl)-2-(2-methoxyanilino)-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-chlorophenyl)-2-(2-methoxyanilino)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 374.85 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-(2-methoxyanilino)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 1208785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).