N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide

C21H14F2N2OS2 — CID 18225324

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1
InChIInChI=1S/C21H14F2N2OS2/c1-12-2-4-13(5-3-12)15-8-9-27-19(15)20(26)25-21-24-18(11-28-21)14-6-7-16(22)17(23)10-14/h2-11H,1H3,(H,24,25,26)
InChIKeyQSXLXMKWYRXOQR-UHFFFAOYSA-N
MW412.49 g/mol
LogP6.38
Rot. Bonds4

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 18225324) has the molecular formula C21H14F2N2OS2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID18225324
Molecular FormulaC21H14F2N2OS2
Molecular Weight412.49 g/mol
Exact Mass412.05
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1
InChIInChI=1S/C21H14F2N2OS2/c1-12-2-4-13(5-3-12)15-8-9-27-19(15)20(26)25-21-24-18(11-28-21)14-6-7-16(22)17(23)10-14/h2-11H,1H3,(H,24,25,26)
InChIKeyQSXLXMKWYRXOQR-UHFFFAOYSA-N
XLogP6.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 8801425
5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 26694315
N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide
CID 71858357
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4034255
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 18268670
4-bromo-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 47026194
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 62045979
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 16910414
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide (CID 18225324) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is QSXLXMKWYRXOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2OS2/c1-12-2-4-13(5-3-12)15-8-9-27-19(15)20(26)25-21-24-18(11-28-21)14-6-7-16(22)17(23)10-14/h2-11H,1H3,(H,24,25,26).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 18225324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).