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

C19H13ClFNO2S — CID 6450642

IUPAC2-[4-(4-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(/C=C/c2ccccc2F)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClFNO2S/c20-14-8-5-13(6-9-14)19-16(11-18(23)24)25-17(22-19)10-7-12-3-1-2-4-15(12)21/h1-10H,11H2,(H,23,24)/b10-7+
InChIKeyJOUZYHYCQHWDAM-JXMROGBWSA-N
MW373.84 g/mol
LogP5.40
Rot. Bonds5

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

2-[4-(4-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid (PubChem CID 6450642) has the molecular formula C19H13ClFNO2S and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
PubChem CID6450642
Molecular FormulaC19H13ClFNO2S
Molecular Weight373.84 g/mol
Exact Mass373.03
IUPAC Name2-[4-(4-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(/C=C/c2ccccc2F)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClFNO2S/c20-14-8-5-13(6-9-14)19-16(11-18(23)24)25-17(22-19)10-7-12-3-1-2-4-15(12)21/h1-10H,11H2,(H,23,24)/b10-7+
InChIKeyJOUZYHYCQHWDAM-JXMROGBWSA-N
XLogP5.40
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fentiazac
CID 28871
2-(2,4-Diphenyl-1,3-thiazol-5-yl)acetic acid
CID 2763923
2-(2-Benzhydryl-4-phenylthiazol-5-yl)acetic acid
CID 46230226
2-(4-(4-Chlorophenyl)-2-(diphenylamino)thiazol-5-yl)acetic acid
CID 16660290
5-Thiazoleacetic acid, 2-methyl-4-phenyl-
CID 214800
Thiazole-5-acetic acid, 2-benzylamino-4-(p-chlorophenyl)-
CID 3054243
2-(2-(1,1-Diphenylethyl)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 46880900
5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-(phenylamino)-
CID 184853
4-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]benzenecarboxylic acid
CID 1473793
2-[2-(4-Chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 2763924
2-[2-(2-Chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 2764046
2-(2-((4-Chlorophenyl)(phenyl)methyl)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 11495838

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid (CID 6450642) is 2-[4-(4-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(/C=C/c2ccccc2F)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is JOUZYHYCQHWDAM-JXMROGBWSA-N. The full InChI is InChI=1S/C19H13ClFNO2S/c20-14-8-5-13(6-9-14)19-16(11-18(23)24)25-17(22-19)10-7-12-3-1-2-4-15(12)21/h1-10H,11H2,(H,23,24)/b10-7+.
What are the key properties of 2-[4-(4-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 373.84 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 6450642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).