3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide

C18H14F2N2OS — CID 25397079

IUPAC3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
SMILESCc1nc(-c2ccc(CNC(=O)c3cc(F)cc(F)c3)cc2)cs1
InChIInChI=1S/C18H14F2N2OS/c1-11-22-17(10-24-11)13-4-2-12(3-5-13)9-21-18(23)14-6-15(19)8-16(20)7-14/h2-8,10H,9H2,1H3,(H,21,23)
InChIKeySZSAGIPMRXDMPN-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.33
Rot. Bonds4

About 3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide

3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide (PubChem CID 25397079) has the molecular formula C18H14F2N2OS and a molecular weight of 344.39 g/mol. Its IUPAC name is 3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
PubChem CID25397079
Molecular FormulaC18H14F2N2OS
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
SMILESCc1nc(-c2ccc(CNC(=O)c3cc(F)cc(F)c3)cc2)cs1
InChIInChI=1S/C18H14F2N2OS/c1-11-22-17(10-24-11)13-4-2-12(3-5-13)9-21-18(23)14-6-15(19)8-16(20)7-14/h2-8,10H,9H2,1H3,(H,21,23)
InChIKeySZSAGIPMRXDMPN-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
CID 25397907
4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761184
4-methylsulfanyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-nitrobenzamide
CID 24509020
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
7-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17394675
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108738384
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 126468209
N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 53037569
N-hydroxy-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 167927329
2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108739729

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide (CID 25397079) is 3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide is Cc1nc(-c2ccc(CNC(=O)c3cc(F)cc(F)c3)cc2)cs1.
What is the InChIKey of 3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide?
The InChIKey is SZSAGIPMRXDMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2OS/c1-11-22-17(10-24-11)13-4-2-12(3-5-13)9-21-18(23)14-6-15(19)8-16(20)7-14/h2-8,10H,9H2,1H3,(H,21,23).
What are the key properties of 3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide?
3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 25397079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).