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

C18H15ClN2O2S — CID 15422467

IUPAC2-[4-(4-chlorophenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(CC(=O)O)s2)cc1
InChIInChI=1S/C18H15ClN2O2S/c1-11-2-8-14(9-3-11)20-18-21-17(15(24-18)10-16(22)23)12-4-6-13(19)7-5-12/h2-9H,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyBPUWQRCMZAGKIU-UHFFFAOYSA-N
MW358.85 g/mol
LogP5.14
Rot. Bonds5

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

2-[4-(4-chlorophenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid (PubChem CID 15422467) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid
PubChem CID15422467
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name2-[4-(4-chlorophenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(CC(=O)O)s2)cc1
InChIInChI=1S/C18H15ClN2O2S/c1-11-2-8-14(9-3-11)20-18-21-17(15(24-18)10-16(22)23)12-4-6-13(19)7-5-12/h2-9H,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyBPUWQRCMZAGKIU-UHFFFAOYSA-N
XLogP5.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.85
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Fentiazac
CID 28871
2-(4-(4-Chlorophenyl)-2-(diphenylamino)thiazol-5-yl)acetic acid
CID 16660290
Thiazole-5-acetic acid, 2-benzylamino-4-(p-chlorophenyl)-
CID 3054243
5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-(phenylamino)-
CID 184853
2-[2-(4-Chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 2763924
2-Amino-4-(4-chlorophenyl)thiazole-5-acetic acid
CID 198256
2-{2-[(2-Chlorophenyl)amino]-4-phenyl-1,3-thiazol-5-YL}acetic acid
CID 770921
(2-Anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid
CID 950344
2-(4-(4-Chlorophenyl)-2-(2-methoxyphenylamino)thiazol-5-yl)acetic acid
CID 1208785
2-(4-(4-Fluorophenyl)-2-(phenylamino)thiazol-5-yl)acetic acid
CID 1282226
2-[2-(4-Chloroanilino)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid
CID 1536966
4-[[4-(4-Chlorophenyl)-5-ethyl-1,3-thiazol-2-yl](pentanoyl)amino]benzoic acid
CID 2194734

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid (CID 15422467) is 2-[4-(4-chlorophenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid is Cc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(CC(=O)O)s2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is BPUWQRCMZAGKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-11-2-8-14(9-3-11)20-18-21-17(15(24-18)10-16(22)23)12-4-6-13(19)7-5-12/h2-9H,10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[4-(4-chlorophenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-chlorophenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 358.85 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 15422467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).