N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide

C17H11F3N2OS — CID 39036652

IUPACN-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)cc1F
InChIInChI=1S/C17H11F3N2OS/c1-9-5-6-10(7-13(9)20)16(23)22-17-21-14(8-24-17)15-11(18)3-2-4-12(15)19/h2-8H,1H3,(H,21,22,23)
InChIKeyHKMIBZUOYAISGS-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.79
Rot. Bonds3

About N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide

N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide (PubChem CID 39036652) has the molecular formula C17H11F3N2OS and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
PubChem CID39036652
Molecular FormulaC17H11F3N2OS
Molecular Weight348.35 g/mol
Exact Mass348.05
IUPAC NameN-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)cc1F
InChIInChI=1S/C17H11F3N2OS/c1-9-5-6-10(7-13(9)20)16(23)22-17-21-14(8-24-17)15-11(18)3-2-4-12(15)19/h2-8H,1H3,(H,21,22,23)
InChIKeyHKMIBZUOYAISGS-UHFFFAOYSA-N
XLogP4.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-nitrobenzamide
CID 39038251
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 39038759
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
CID 43322575
3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 87043271
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
CID 64558469
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 39804997
2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442503
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
CID 28861611
4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4220609
3-fluoro-N-[2-[[2-[2-[(2-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]ethyl]-4-methylbenzamide
CID 55706715

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide (CID 39036652) is N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)cc1F.
What is the InChIKey of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide?
The InChIKey is HKMIBZUOYAISGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2OS/c1-9-5-6-10(7-13(9)20)16(23)22-17-21-14(8-24-17)15-11(18)3-2-4-12(15)19/h2-8H,1H3,(H,21,22,23).
What are the key properties of N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide?
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide has a molecular weight of 348.35 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 39036652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).