2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

C12H11F2N3OS2 — CID 18128699

IUPAC2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2cccnc2SC(F)F)sc1C
InChIInChI=1S/C12H11F2N3OS2/c1-6-7(2)19-12(16-6)17-9(18)8-4-3-5-15-10(8)20-11(13)14/h3-5,11H,1-2H3,(H,16,17,18)
InChIKeyORBVQQHQVQSPCT-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.72
Rot. Bonds4

About 2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 18128699) has the molecular formula C12H11F2N3OS2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID18128699
Molecular FormulaC12H11F2N3OS2
Molecular Weight315.37 g/mol
Exact Mass315.03
IUPAC Name2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2cccnc2SC(F)F)sc1C
InChIInChI=1S/C12H11F2N3OS2/c1-6-7(2)19-12(16-6)17-9(18)8-4-3-5-15-10(8)20-11(13)14/h3-5,11H,1-2H3,(H,16,17,18)
InChIKeyORBVQQHQVQSPCT-UHFFFAOYSA-N
XLogP3.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethylsulfanyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 112773085
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylsulfanylbenzamide
CID 47098613
2-(difluoromethylsulfanyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 24568681
methyl 4-cyclopentyl-2-[[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 75456655
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62178330
2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 112773082
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 24575859
N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78804077
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 4028071
2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 51151057
2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 134013198
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 693380

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 18128699) is 2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is Cc1nc(NC(=O)c2cccnc2SC(F)F)sc1C.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is ORBVQQHQVQSPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3OS2/c1-6-7(2)19-12(16-6)17-9(18)8-4-3-5-15-10(8)20-11(13)14/h3-5,11H,1-2H3,(H,16,17,18).
What are the key properties of 2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 18128699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).