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

C18H14F2N2OS — CID 7535959

IUPAC2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1cccc(Cc2cnc(NC(=O)c3ccc(F)cc3F)s2)c1
InChIInChI=1S/C18H14F2N2OS/c1-11-3-2-4-12(7-11)8-14-10-21-18(24-14)22-17(23)15-6-5-13(19)9-16(15)20/h2-7,9-10H,8H2,1H3,(H,21,22,23)
InChIKeyXMLZEVYUEDUVIQ-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.57
Rot. Bonds4

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

2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 7535959) has the molecular formula C18H14F2N2OS and a molecular weight of 344.39 g/mol. Its IUPAC name is 2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID7535959
Molecular FormulaC18H14F2N2OS
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1cccc(Cc2cnc(NC(=O)c3ccc(F)cc3F)s2)c1
InChIInChI=1S/C18H14F2N2OS/c1-11-3-2-4-12(7-11)8-14-10-21-18(24-14)22-17(23)15-6-5-13(19)9-16(15)20/h2-7,9-10H,8H2,1H3,(H,21,22,23)
InChIKeyXMLZEVYUEDUVIQ-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 46535749
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17404860
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide
CID 16650641
5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17423794
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3144222
4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 2130333
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4212019
N-[4-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,4-difluorobenzamide
CID 42353957
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide
CID 88589486
1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 167862447
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 16651563
2-(3-fluorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39221992

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide (CID 7535959) is 2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide is Cc1cccc(Cc2cnc(NC(=O)c3ccc(F)cc3F)s2)c1.
What is the InChIKey of 2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is XMLZEVYUEDUVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2OS/c1-11-3-2-4-12(7-11)8-14-10-21-18(24-14)22-17(23)15-6-5-13(19)9-16(15)20/h2-7,9-10H,8H2,1H3,(H,21,22,23).
What are the key properties of 2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 7535959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).