2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C18H15F2N3OS2 — CID 112773082

IUPAC2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cccnc3SC(F)F)n2)c(C)c1
InChIInChI=1S/C18H15F2N3OS2/c1-10-5-6-12(11(2)8-10)14-9-25-18(22-14)23-15(24)13-4-3-7-21-16(13)26-17(19)20/h3-9,17H,1-2H3,(H,22,23,24)
InChIKeyJXWBLUXOCKNCDO-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.39
Rot. Bonds5

About 2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 112773082) has the molecular formula C18H15F2N3OS2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID112773082
Molecular FormulaC18H15F2N3OS2
Molecular Weight391.47 g/mol
Exact Mass391.06
IUPAC Name2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cccnc3SC(F)F)n2)c(C)c1
InChIInChI=1S/C18H15F2N3OS2/c1-10-5-6-12(11(2)8-10)14-9-25-18(22-14)23-15(24)13-4-3-7-21-16(13)26-17(19)20/h3-9,17H,1-2H3,(H,22,23,24)
InChIKeyJXWBLUXOCKNCDO-UHFFFAOYSA-N
XLogP5.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethylsulfanyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 24568681
2-(difluoromethylsulfanyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 112773085
2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 903690
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 1220261
2-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 8838906
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55435410
2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18128699
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 3627689
2,6-dichloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4517277
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 24575859
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 112762053

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 112773082) is 2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is Cc1ccc(-c2csc(NC(=O)c3cccnc3SC(F)F)n2)c(C)c1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is JXWBLUXOCKNCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3OS2/c1-10-5-6-12(11(2)8-10)14-9-25-18(22-14)23-15(24)13-4-3-7-21-16(13)26-17(19)20/h3-9,17H,1-2H3,(H,22,23,24).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 112773082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).