2-[2-(2-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid

C17H13ClN2O2S — CID 770921

IUPAC2-[2-(2-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Nc2ccccc2Cl)nc1-c1ccccc1
InChIInChI=1S/C17H13ClN2O2S/c18-12-8-4-5-9-13(12)19-17-20-16(11-6-2-1-3-7-11)14(23-17)10-15(21)22/h1-9H,10H2,(H,19,20)(H,21,22)
InChIKeyAYHJILIKAKUUNP-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.83
Rot. Bonds5

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

2-[2-(2-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 770921) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is 2-[2-(2-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID770921
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name2-[2-(2-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Nc2ccccc2Cl)nc1-c1ccccc1
InChIInChI=1S/C17H13ClN2O2S/c18-12-8-4-5-9-13(12)19-17-20-16(11-6-2-1-3-7-11)14(23-17)10-15(21)22/h1-9H,10H2,(H,19,20)(H,21,22)
InChIKeyAYHJILIKAKUUNP-UHFFFAOYSA-N
XLogP4.83
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-(Diphenylamino)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660132
2-(2-(Bis(4-fluorophenyl)amino)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660288
2-(2-(Diphenylamino)-4-(3-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660289
2-(4-(4-Chlorophenyl)-2-(diphenylamino)thiazol-5-yl)acetic acid
CID 16660290
Thiazole-5-acetic acid, 2-benzylamino-4-(p-chlorophenyl)-
CID 3054243
2-(2-Amino-4-phenyl-1,3-thiazol-5-yl)acetic acid
CID 291865
5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-(phenylamino)-
CID 184853
2-Amino-4-(4-chlorophenyl)thiazole-5-acetic acid
CID 198256
(2-Anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid
CID 950344
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-Chloro-phenyl)-2-(naphthalen-1-ylamino)-thiazol-5-yl]-acetic acid
CID 3145374

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid (CID 770921) is 2-[2-(2-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(Nc2ccccc2Cl)nc1-c1ccccc1.
What is the InChIKey of 2-[2-(2-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is AYHJILIKAKUUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c18-12-8-4-5-9-13(12)19-17-20-16(11-6-2-1-3-7-11)14(23-17)10-15(21)22/h1-9H,10H2,(H,19,20)(H,21,22).
What are the key properties of 2-[2-(2-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(2-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 344.82 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 770921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).