N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide

C17H17F3N6O3S — CID 123192734

IUPACN-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide
SMILESCc1nsc(NC2=NCC(C(F)(F)F)N=C2)c1C(=O)Nc1ccc(OCCO)nc1
InChIInChI=1S/C17H17F3N6O3S/c1-9-14(15(28)24-10-2-3-13(23-6-10)29-5-4-27)16(30-26-9)25-12-8-21-11(7-22-12)17(18,19)20/h2-3,6,8,11,27H,4-5,7H2,1H3,(H,22,25)(H,24,28)
InChIKeyOFURXBGRFFUYTA-UHFFFAOYSA-N
MW442.42 g/mol
LogP2.30
Rot. Bonds6

About N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide

N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide (PubChem CID 123192734) has the molecular formula C17H17F3N6O3S and a molecular weight of 442.42 g/mol. Its IUPAC name is N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide
PubChem CID123192734
Molecular FormulaC17H17F3N6O3S
Molecular Weight442.42 g/mol
Exact Mass442.10
IUPAC NameN-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide
SMILESCc1nsc(NC2=NCC(C(F)(F)F)N=C2)c1C(=O)Nc1ccc(OCCO)nc1
InChIInChI=1S/C17H17F3N6O3S/c1-9-14(15(28)24-10-2-3-13(23-6-10)29-5-4-27)16(30-26-9)25-12-8-21-11(7-22-12)17(18,19)20/h2-3,6,8,11,27H,4-5,7H2,1H3,(H,22,25)(H,24,28)
InChIKeyOFURXBGRFFUYTA-UHFFFAOYSA-N
XLogP2.30
TPSA121.09 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.42
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-N-[6-[3-(3,3,3-trifluoropropylamino)propoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide
CID 123745880
N-[6-[3-(2,2-difluoroethylamino)propoxy]-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide
CID 123292230
N-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide
CID 123942464
N-(3-ethoxy-4-fluorophenyl)-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide
CID 123197683
N-[6-(3-aminopropoxy)-3-pyridinyl]-3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118285134
3-methyl-N-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 144895064
N-[4-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxyphenyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide
CID 123156610
3-[[5-[[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carbonyl]amino]-2-pyridinyl]oxy]propylcarbamic acid
CID 118278718
N-[6-[3-[2,2-difluoroethyl(methyl)amino]propoxy]-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118285114
3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118278620
N-[6-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118278788
5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide
CID 123597922

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide (CID 123192734) is N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide is Cc1nsc(NC2=NCC(C(F)(F)F)N=C2)c1C(=O)Nc1ccc(OCCO)nc1.
What is the InChIKey of N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide?
The InChIKey is OFURXBGRFFUYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O3S/c1-9-14(15(28)24-10-2-3-13(23-6-10)29-5-4-27)16(30-26-9)25-12-8-21-11(7-22-12)17(18,19)20/h2-3,6,8,11,27H,4-5,7H2,1H3,(H,22,25)(H,24,28).
What are the key properties of N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide?
N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide has a molecular weight of 442.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 123192734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).