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

C16H11F2N3OS2 — CID 2102582

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C16H11F2N3OS2/c1-23-15-10(3-2-6-19-15)14(22)21-16-20-13(8-24-16)9-4-5-11(17)12(18)7-9/h2-8H,1H3,(H,20,21,22)
InChIKeyDNWVTLAEEZIASY-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.46
Rot. Bonds4

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

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2102582) has the molecular formula C16H11F2N3OS2 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2102582
Molecular FormulaC16H11F2N3OS2
Molecular Weight363.41 g/mol
Exact Mass363.03
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C16H11F2N3OS2/c1-23-15-10(3-2-6-19-15)14(22)21-16-20-13(8-24-16)9-4-5-11(17)12(18)7-9/h2-8H,1H3,(H,20,21,22)
InChIKeyDNWVTLAEEZIASY-UHFFFAOYSA-N
XLogP4.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(3-hydroxy-4-isocyanophenyl)phenyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 155654640
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 16910414
2-(difluoromethylsulfanyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 24568681
5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 26694315
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxypyridine-3-carboxamide
CID 134002964
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
CID 16910435
N-[4-[6-(4-cyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 155410127
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 8801401
2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 55686455
2-(2-cyanophenyl)sulfanyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 16549637
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 62045979
4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4034255

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide (CID 2102582) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is DNWVTLAEEZIASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3OS2/c1-23-15-10(3-2-6-19-15)14(22)21-16-20-13(8-24-16)9-4-5-11(17)12(18)7-9/h2-8H,1H3,(H,20,21,22).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 4.46, 4 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]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2102582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).