N-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide

C18H15F2N5O2S — CID 160937304

IUPACN-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1cnc(Cc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C18H15F2N5O2S/c1-9-16(18(27)24-10-3-4-12(19)13(20)5-10)15(28-25-9)6-11-7-23-14(8-22-11)17(26)21-2/h3-5,7-8H,6H2,1-2H3,(H,21,26)(H,24,27)
InChIKeySUASWAYJQDNXGL-UHFFFAOYSA-N
MW403.41 g/mol
LogP2.72
Rot. Bonds5

About N-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide

N-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide (PubChem CID 160937304) has the molecular formula C18H15F2N5O2S and a molecular weight of 403.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide
PubChem CID160937304
Molecular FormulaC18H15F2N5O2S
Molecular Weight403.41 g/mol
Exact Mass403.09
IUPAC NameN-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1cnc(Cc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C18H15F2N5O2S/c1-9-16(18(27)24-10-3-4-12(19)13(20)5-10)15(28-25-9)6-11-7-23-14(8-22-11)17(26)21-2/h3-5,7-8H,6H2,1-2H3,(H,21,26)(H,24,27)
InChIKeySUASWAYJQDNXGL-UHFFFAOYSA-N
XLogP2.72
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-3-methyl-5-[[5-[methyl-[2-(methylamino)ethyl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118279272
N-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-3-fluorophenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide
CID 149197157
tert-butyl 4-[2-fluoro-5-[[3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carbonyl]amino]phenoxy]piperidine-1-carboxylate
CID 157478898
5-[[5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazin-2-yl]amino]-N-(3,4-difluorophenyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 118279288
5-[(6-fluoroquinoxalin-2-yl)methyl]-3-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-4-carboxamide
CID 157209486
5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(3-methylsulfonylphenyl)-1,2-thiazole-4-carboxamide
CID 159092776
tert-butyl N-[2-[2-fluoro-4-[[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carbonyl]amino]phenoxy]ethyl]carbamate
CID 158540246
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
3-methyl-N-[6-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide
CID 159050631
N-(3,4-difluorophenyl)-5-[[6-[2-(dimethylamino)ethyl]pyrazin-2-yl]amino]-3-methyl-1,2-thiazole-4-carboxamide
CID 118279404
5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290108
5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109200977

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide (CID 160937304) is N-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide is CNC(=O)c1cnc(Cc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide?
The InChIKey is SUASWAYJQDNXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O2S/c1-9-16(18(27)24-10-3-4-12(19)13(20)5-10)15(28-25-9)6-11-7-23-14(8-22-11)17(26)21-2/h3-5,7-8H,6H2,1-2H3,(H,21,26)(H,24,27).
What are the key properties of N-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide?
N-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 160937304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).