N-(3,4-difluorophenyl)-5-[[6-[2-(dimethylamino)ethyl]pyrazin-2-yl]amino]-3-methyl-1,2-thiazole-4-carboxamide

C19H20F2N6OS — CID 118279404

IUPACN-(3,4-difluorophenyl)-5-[[6-[2-(dimethylamino)ethyl]pyrazin-2-yl]amino]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Nc2cncc(CCN(C)C)n2)c1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N6OS/c1-11-17(18(28)24-12-4-5-14(20)15(21)8-12)19(29-26-11)25-16-10-22-9-13(23-16)6-7-27(2)3/h4-5,8-10H,6-7H2,1-3H3,(H,23,25)(H,24,28)
InChIKeyMRLXDJYLFDQCJI-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.62
Rot. Bonds7

About N-(3,4-difluorophenyl)-5-[[6-[2-(dimethylamino)ethyl]pyrazin-2-yl]amino]-3-methyl-1,2-thiazole-4-carboxamide

N-(3,4-difluorophenyl)-5-[[6-[2-(dimethylamino)ethyl]pyrazin-2-yl]amino]-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 118279404) has the molecular formula C19H20F2N6OS and a molecular weight of 418.47 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-[[6-[2-(dimethylamino)ethyl]pyrazin-2-yl]amino]-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-[[6-[2-(dimethylamino)ethyl]pyrazin-2-yl]amino]-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID118279404
Molecular FormulaC19H20F2N6OS
Molecular Weight418.47 g/mol
Exact Mass418.14
IUPAC NameN-(3,4-difluorophenyl)-5-[[6-[2-(dimethylamino)ethyl]pyrazin-2-yl]amino]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Nc2cncc(CCN(C)C)n2)c1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N6OS/c1-11-17(18(28)24-12-4-5-14(20)15(21)8-12)19(29-26-11)25-16-10-22-9-13(23-16)6-7-27(2)3/h4-5,8-10H,6-7H2,1-3H3,(H,23,25)(H,24,28)
InChIKeyMRLXDJYLFDQCJI-UHFFFAOYSA-N
XLogP3.62
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-[methyl-[2-(methylamino)ethyl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118279272
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-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284895
N-[3-fluoro-4-[1-(2-fluoroethyl)piperidin-4-yl]oxyphenyl]-3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118284782
N-[6-(3-aminopropoxy)-3-pyridinyl]-3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118285134
N-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide
CID 160937304
N-(3-ethoxy-4-fluorophenyl)-3-methyl-5-[[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]amino]-1,2-thiazole-4-carboxamide
CID 123197683
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
4-[[3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carbonyl]amino]benzoic acid
CID 118279033
N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 90317760
(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

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-[[6-[2-(dimethylamino)ethyl]pyrazin-2-yl]amino]-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-[[6-[2-(dimethylamino)ethyl]pyrazin-2-yl]amino]-3-methyl-1,2-thiazole-4-carboxamide (CID 118279404) is N-(3,4-difluorophenyl)-5-[[6-[2-(dimethylamino)ethyl]pyrazin-2-yl]amino]-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-[[6-[2-(dimethylamino)ethyl]pyrazin-2-yl]amino]-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-[[6-[2-(dimethylamino)ethyl]pyrazin-2-yl]amino]-3-methyl-1,2-thiazole-4-carboxamide is Cc1nsc(Nc2cncc(CCN(C)C)n2)c1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-[[6-[2-(dimethylamino)ethyl]pyrazin-2-yl]amino]-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is MRLXDJYLFDQCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6OS/c1-11-17(18(28)24-12-4-5-14(20)15(21)8-12)19(29-26-11)25-16-10-22-9-13(23-16)6-7-27(2)3/h4-5,8-10H,6-7H2,1-3H3,(H,23,25)(H,24,28).
What are the key properties of N-(3,4-difluorophenyl)-5-[[6-[2-(dimethylamino)ethyl]pyrazin-2-yl]amino]-3-methyl-1,2-thiazole-4-carboxamide?
N-(3,4-difluorophenyl)-5-[[6-[2-(dimethylamino)ethyl]pyrazin-2-yl]amino]-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-[[6-[2-(dimethylamino)ethyl]pyrazin-2-yl]amino]-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 118279404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).