2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrothiophen-3-yl]phenyl]benzamide

C21H16F2N2OS2 — CID 70829916

IUPAC2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrothiophen-3-yl]phenyl]benzamide
SMILESCC1SC(c2nccs2)=CC1c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C21H16F2N2OS2/c1-12-15(11-18(28-12)21-24-9-10-27-21)13-5-7-14(8-6-13)25-20(26)19-16(22)3-2-4-17(19)23/h2-12,15H,1H3,(H,25,26)
InChIKeySOPFUCPYQSMHKU-UHFFFAOYSA-N
MW414.50 g/mol
LogP5.93
Rot. Bonds4

About 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrothiophen-3-yl]phenyl]benzamide

2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrothiophen-3-yl]phenyl]benzamide (PubChem CID 70829916) has the molecular formula C21H16F2N2OS2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrothiophen-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrothiophen-3-yl]phenyl]benzamide
PubChem CID70829916
Molecular FormulaC21H16F2N2OS2
Molecular Weight414.50 g/mol
Exact Mass414.07
IUPAC Name2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrothiophen-3-yl]phenyl]benzamide
SMILESCC1SC(c2nccs2)=CC1c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C21H16F2N2OS2/c1-12-15(11-18(28-12)21-24-9-10-27-21)13-5-7-14(8-6-13)25-20(26)19-16(22)3-2-4-17(19)23/h2-12,15H,1H3,(H,25,26)
InChIKeySOPFUCPYQSMHKU-UHFFFAOYSA-N
XLogP5.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrofuran-3-yl]phenyl]benzamide
CID 71158578
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
2,6-difluoro-N-[4-[4-methyl-2-(1,3-oxazol-2-yl)-4,5-dihydro-1,3-thiazol-5-yl]phenyl]benzamide
CID 71158533
3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795595
2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 84534803
5-amino-N-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 91343042
2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 17487764
2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide
CID 118010088
4-fluoro-3-(methoxymethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 27675941
2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 59785762
N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
CID 114310878
2,6-difluoro-N-(4-nitrophenyl)benzamide
CID 2841260

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrothiophen-3-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrothiophen-3-yl]phenyl]benzamide (CID 70829916) is 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrothiophen-3-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrothiophen-3-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrothiophen-3-yl]phenyl]benzamide is CC1SC(c2nccs2)=CC1c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrothiophen-3-yl]phenyl]benzamide?
The InChIKey is SOPFUCPYQSMHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2OS2/c1-12-15(11-18(28-12)21-24-9-10-27-21)13-5-7-14(8-6-13)25-20(26)19-16(22)3-2-4-17(19)23/h2-12,15H,1H3,(H,25,26).
What are the key properties of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrothiophen-3-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrothiophen-3-yl]phenyl]benzamide has a molecular weight of 414.50 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrothiophen-3-yl]phenyl]benzamide is sourced from PubChem (CID 70829916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).