N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide

C17H11F3N2OS — CID 871637

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C17H11F3N2OS/c18-12-4-1-10(2-5-12)7-16(23)22-17-21-15(9-24-17)11-3-6-13(19)14(20)8-11/h1-6,8-9H,7H2,(H,21,22,23)
InChIKeyOTYJSOZASDZLEO-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.41
Rot. Bonds4

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 871637) has the molecular formula C17H11F3N2OS and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID871637
Molecular FormulaC17H11F3N2OS
Molecular Weight348.35 g/mol
Exact Mass348.05
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C17H11F3N2OS/c18-12-4-1-10(2-5-12)7-16(23)22-17-21-15(9-24-17)11-3-6-13(19)14(20)8-11/h1-6,8-9H,7H2,(H,21,22,23)
InChIKeyOTYJSOZASDZLEO-UHFFFAOYSA-N
XLogP4.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
4-Methyl-N-(4-phenyl-2-thiazolyl)benzamide
CID 577347
N-2-Benzothiazolylbenzeneacetamide
CID 591403
4-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 697415
N-(4-Phenyl-thiazol-2-yl)-benzamide
CID 746475
3-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 754492
N-(4-methylthiazol-2-yl)benzamide
CID 695178
T0400-1499
CID 1549394
TJ-M2010-5
CID 71542350
Butanoic acid, 4-oxo-4-((4-phenyl-2-thiazolyl)amino)-
CID 804919
2-Cinnamamido-4-phenylthiazole
CID 690181
N-aryl-4-aryl-1,3-thiazole-2-amine, 25
CID 972657

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide (CID 871637) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is OTYJSOZASDZLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2OS/c18-12-4-1-10(2-5-12)7-16(23)22-17-21-15(9-24-17)11-3-6-13(19)14(20)8-11/h1-6,8-9H,7H2,(H,21,22,23).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 348.35 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 871637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).