N,3-dimethyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;ethane

C13H16F3N5OS — CID 144895070

IUPACN,3-dimethyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;ethane
SMILESCC.CNC(=O)c1c(C)nsc1Nc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C11H10F3N5OS.C2H6/c1-5-8(9(20)15-2)10(21-19-5)18-7-4-16-6(3-17-7)11(12,13)14;1-2/h3-4H,1-2H3,(H,15,20)(H,17,18);1-2H3
InChIKeyWGHBCXCECQROFN-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.39
Rot. Bonds3

About N,3-dimethyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;ethane

N,3-dimethyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;ethane (PubChem CID 144895070) has the molecular formula C13H16F3N5OS and a molecular weight of 347.37 g/mol. Its IUPAC name is N,3-dimethyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;ethane.

Molecular Properties

Compound NameN,3-dimethyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;ethane
PubChem CID144895070
Molecular FormulaC13H16F3N5OS
Molecular Weight347.37 g/mol
Exact Mass347.10
IUPAC NameN,3-dimethyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;ethane
SMILESCC.CNC(=O)c1c(C)nsc1Nc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C11H10F3N5OS.C2H6/c1-5-8(9(20)15-2)10(21-19-5)18-7-4-16-6(3-17-7)11(12,13)14;1-2/h3-4H,1-2H3,(H,15,20)(H,17,18);1-2H3
InChIKeyWGHBCXCECQROFN-UHFFFAOYSA-N
XLogP3.39
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 53593883
[3-Methyl-5-(methylamino)-1,2-thiazol-4-yl]-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 53608590
(3-Imidazol-1-ylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 53613044
[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 56779735
5-[[(2R)-1-amino-4,4-difluoro-1-oxobutan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 71572389
5-[(1-Amino-4,4-difluoro-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 78116895
5-((1R,2R)-2-amino-3,3-difluorocyclohexylamino)-3-(3-methylisothiazol-5-ylamino)pyrazine-2-carboxamide
CID 86685574
5-[[(2R)-1-amino-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 89572318
5-[(1-Amino-4,4,4-trifluoro-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 89572319
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(4-fluoro-3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 89572540
5-[(4-Amino-4,4-difluoro-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 117674135
3-methyl-N-[6-[3-[methyl(2,2,2-trifluoroethyl)amino]propoxy]-1,2-dihydropyridin-3-yl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118699066

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;ethane?
The IUPAC name of N,3-dimethyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;ethane (CID 144895070) is N,3-dimethyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;ethane.
What is the SMILES notation for N,3-dimethyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;ethane?
The canonical SMILES for N,3-dimethyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;ethane is CC.CNC(=O)c1c(C)nsc1Nc1cnc(C(F)(F)F)cn1.
What is the InChIKey of N,3-dimethyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;ethane?
The InChIKey is WGHBCXCECQROFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5OS.C2H6/c1-5-8(9(20)15-2)10(21-19-5)18-7-4-16-6(3-17-7)11(12,13)14;1-2/h3-4H,1-2H3,(H,15,20)(H,17,18);1-2H3.
What are the key properties of N,3-dimethyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;ethane?
N,3-dimethyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;ethane has a molecular weight of 347.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;ethane is sourced from PubChem (CID 144895070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).