2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid

C17H13ClN2O3S — CID 3074902

IUPAC2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H13ClN2O3S/c18-12-3-5-13(6-4-12)19-17-20-15(10-24-17)11-1-7-14(8-2-11)23-9-16(21)22/h1-8,10H,9H2,(H,19,20)(H,21,22)
InChIKeyLVLVXZIMRQHNEJ-UHFFFAOYSA-N
MW360.82 g/mol
LogP4.67
Rot. Bonds6

About 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid

2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid (PubChem CID 3074902) has the molecular formula C17H13ClN2O3S and a molecular weight of 360.82 g/mol. Its IUPAC name is 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid
PubChem CID3074902
Molecular FormulaC17H13ClN2O3S
Molecular Weight360.82 g/mol
Exact Mass360.03
IUPAC Name2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H13ClN2O3S/c18-12-3-5-13(6-4-12)19-17-20-15(10-24-17)11-1-7-14(8-2-11)23-9-16(21)22/h1-8,10H,9H2,(H,19,20)(H,21,22)
InChIKeyLVLVXZIMRQHNEJ-UHFFFAOYSA-N
XLogP4.67
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic 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

4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
4-(4-chlorophenyl)-N-(4-methoxyphenyl)thiazol-2-amine
CID 768022
4-{2-[(4-Chlorophenyl)amino]-1,3-thiazol-4-yl}phenol
CID 7341803
4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine Hydrobromide
CID 2058278
(2-Anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate
CID 2343528
2-(2-(2-Chlorophenylamino)-4-(4-phenoxyphenyl)thiazol-5-yl)acetic acid
CID 3145335
4-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
CID 51109711
4-[[4-(4-Ethoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 118708821
4-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 690276
Acetic acid, (4-(2-((4-methylphenyl)amino)-4-thiazolyl)phenoxy)-
CID 3074901
Acetic acid, (4-(2-amino-4-thiazolyl)phenoxy)-
CID 3074898
N-(4-(4-Chlorophenyl)-1,3-thiazol-2-YL)-2-(2-methoxyphenoxy)acetamide
CID 1275131

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid (CID 3074902) is 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid is O=C(O)COc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid?
The InChIKey is LVLVXZIMRQHNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3S/c18-12-3-5-13(6-4-12)19-17-20-15(10-24-17)11-1-7-14(8-2-11)23-9-16(21)22/h1-8,10H,9H2,(H,19,20)(H,21,22).
What are the key properties of 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid?
2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid has a molecular weight of 360.82 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid is sourced from PubChem (CID 3074902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).