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

C24H18ClNO2S — CID 11517351

IUPAC2-[2-benzhydryl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C(c2ccccc2)c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H18ClNO2S/c25-19-13-11-18(12-14-19)23-20(15-21(27)28)29-24(26-23)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22H,15H2,(H,27,28)
InChIKeyHIEUVNLETVQMHD-UHFFFAOYSA-N
MW419.93 g/mol
LogP6.27
Rot. Bonds6

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

2-[2-benzhydryl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 11517351) has the molecular formula C24H18ClNO2S and a molecular weight of 419.93 g/mol. Its IUPAC name is 2-[2-benzhydryl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-benzhydryl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID11517351
Molecular FormulaC24H18ClNO2S
Molecular Weight419.93 g/mol
Exact Mass419.07
IUPAC Name2-[2-benzhydryl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C(c2ccccc2)c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H18ClNO2S/c25-19-13-11-18(12-14-19)23-20(15-21(27)28)29-24(26-23)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22H,15H2,(H,27,28)
InChIKeyHIEUVNLETVQMHD-UHFFFAOYSA-N
XLogP6.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.93
LogP ≤ 56.27
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
2-(2-(1,1-Diphenylethyl)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 46880900
3-(2-(Bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl)thiazol-5-yl)propanoic acid
CID 46880901
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
2-(2-(Bis(4-fluorophenyl)methyl)-4-(3,4-difluorophenyl)thiazol-5-yl)acetic acid
CID 11496258
2-(2-Benzhydryl-4-(3,4-difluorophenyl)thiazol-5-yl)acetic acid
CID 11531874

Frequently Asked Questions

What is the IUPAC name of 2-[2-benzhydryl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-benzhydryl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid (CID 11517351) is 2-[2-benzhydryl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-benzhydryl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-benzhydryl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(C(c2ccccc2)c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-benzhydryl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is HIEUVNLETVQMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO2S/c25-19-13-11-18(12-14-19)23-20(15-21(27)28)29-24(26-23)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22H,15H2,(H,27,28).
What are the key properties of 2-[2-benzhydryl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-benzhydryl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 419.93 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-benzhydryl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 11517351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).