N-(3,4-difluorophenyl)-3-methyl-5-[[5-[methyl-[2-(methylamino)ethyl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide

C20H21F2N7O2S — CID 118279272

IUPACN-(3,4-difluorophenyl)-3-methyl-5-[[5-[methyl-[2-(methylamino)ethyl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
SMILESCNCCN(C)C(=O)c1cnc(Nc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C20H21F2N7O2S/c1-11-17(18(30)26-12-4-5-13(21)14(22)8-12)19(32-28-11)27-16-10-24-15(9-25-16)20(31)29(3)7-6-23-2/h4-5,8-10,23H,6-7H2,1-3H3,(H,25,27)(H,26,30)
InChIKeyXBHFRUXPTSPRMM-UHFFFAOYSA-N
MW461.50 g/mol
LogP2.81
Rot. Bonds8

About N-(3,4-difluorophenyl)-3-methyl-5-[[5-[methyl-[2-(methylamino)ethyl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide

N-(3,4-difluorophenyl)-3-methyl-5-[[5-[methyl-[2-(methylamino)ethyl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide (PubChem CID 118279272) has the molecular formula C20H21F2N7O2S and a molecular weight of 461.50 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-methyl-5-[[5-[methyl-[2-(methylamino)ethyl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-methyl-5-[[5-[methyl-[2-(methylamino)ethyl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
PubChem CID118279272
Molecular FormulaC20H21F2N7O2S
Molecular Weight461.50 g/mol
Exact Mass461.14
IUPAC NameN-(3,4-difluorophenyl)-3-methyl-5-[[5-[methyl-[2-(methylamino)ethyl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
SMILESCNCCN(C)C(=O)c1cnc(Nc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C20H21F2N7O2S/c1-11-17(18(30)26-12-4-5-13(21)14(22)8-12)19(32-28-11)27-16-10-24-15(9-25-16)20(31)29(3)7-6-23-2/h4-5,8-10,23H,6-7H2,1-3H3,(H,25,27)(H,26,30)
InChIKeyXBHFRUXPTSPRMM-UHFFFAOYSA-N
XLogP2.81
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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
N-(3,4-difluorophenyl)-5-[[6-[2-(dimethylamino)ethyl]pyrazin-2-yl]amino]-3-methyl-1,2-thiazole-4-carboxamide
CID 118279404
3-[[6-[[4-[(3,4-difluorophenyl)carbamoyl]-3-methyl-1,2-thiazol-5-yl]amino]pyrazine-2-carbonyl]amino]propanoic acid
CID 118288151
N-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide
CID 160937304
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-(dimethylamino)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propoxy]phenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118285017
N-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284895
5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290108
N-(3,4-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294564
(3R)-3-[2-fluoro-5-[[3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carbonyl]amino]phenoxy]pyrrolidine-1-carboxylic acid
CID 118278651
5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280085
5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288276

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-methyl-5-[[5-[methyl-[2-(methylamino)ethyl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-methyl-5-[[5-[methyl-[2-(methylamino)ethyl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide (CID 118279272) is N-(3,4-difluorophenyl)-3-methyl-5-[[5-[methyl-[2-(methylamino)ethyl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-methyl-5-[[5-[methyl-[2-(methylamino)ethyl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-methyl-5-[[5-[methyl-[2-(methylamino)ethyl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide is CNCCN(C)C(=O)c1cnc(Nc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-methyl-5-[[5-[methyl-[2-(methylamino)ethyl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?
The InChIKey is XBHFRUXPTSPRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N7O2S/c1-11-17(18(30)26-12-4-5-13(21)14(22)8-12)19(32-28-11)27-16-10-24-15(9-25-16)20(31)29(3)7-6-23-2/h4-5,8-10,23H,6-7H2,1-3H3,(H,25,27)(H,26,30).
What are the key properties of N-(3,4-difluorophenyl)-3-methyl-5-[[5-[methyl-[2-(methylamino)ethyl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?
N-(3,4-difluorophenyl)-3-methyl-5-[[5-[methyl-[2-(methylamino)ethyl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-methyl-5-[[5-[methyl-[2-(methylamino)ethyl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 118279272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).