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

C13H7F2N3OS2 — CID 62045979

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cscn1
InChIInChI=1S/C13H7F2N3OS2/c14-8-2-1-7(3-9(8)15)10-5-21-13(17-10)18-12(19)11-4-20-6-16-11/h1-6H,(H,17,18,19)
InChIKeyDJBYMIIVBIRIHU-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.80
Rot. Bonds3

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

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 62045979) has the molecular formula C13H7F2N3OS2 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID62045979
Molecular FormulaC13H7F2N3OS2
Molecular Weight323.35 g/mol
Exact Mass323.00
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cscn1
InChIInChI=1S/C13H7F2N3OS2/c14-8-2-1-7(3-9(8)15)10-5-21-13(17-10)18-12(19)11-4-20-6-16-11/h1-6H,(H,17,18,19)
InChIKeyDJBYMIIVBIRIHU-UHFFFAOYSA-N
XLogP3.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 26694315
3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 26176305
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]-2-iodobenzamide
CID 16910414
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 8801425
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
5-bromo-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 3998198
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 8565270
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 2102582
4-bromo-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 47026194

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide (CID 62045979) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cscn1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is DJBYMIIVBIRIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3OS2/c14-8-2-1-7(3-9(8)15)10-5-21-13(17-10)18-12(19)11-4-20-6-16-11/h1-6H,(H,17,18,19).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62045979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).