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

C19H16F4N6OS — CID 118279288

IUPAC5-[[5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazin-2-yl]amino]-N-(3,4-difluorophenyl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Nc2cnc(CN3CC(F)(F)C3)cn2)c1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H16F4N6OS/c1-10-16(17(30)26-11-2-3-13(20)14(21)4-11)18(31-28-10)27-15-6-24-12(5-25-15)7-29-8-19(22,23)9-29/h2-6H,7-9H2,1H3,(H,25,27)(H,26,30)
InChIKeyWSEYHXIVIPBSRP-UHFFFAOYSA-N
MW452.44 g/mol
LogP3.97
Rot. Bonds6

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

5-[[5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazin-2-yl]amino]-N-(3,4-difluorophenyl)-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 118279288) has the molecular formula C19H16F4N6OS and a molecular weight of 452.44 g/mol. Its IUPAC name is 5-[[5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazin-2-yl]amino]-N-(3,4-difluorophenyl)-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazin-2-yl]amino]-N-(3,4-difluorophenyl)-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID118279288
Molecular FormulaC19H16F4N6OS
Molecular Weight452.44 g/mol
Exact Mass452.10
IUPAC Name5-[[5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazin-2-yl]amino]-N-(3,4-difluorophenyl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Nc2cnc(CN3CC(F)(F)C3)cn2)c1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H16F4N6OS/c1-10-16(17(30)26-11-2-3-13(20)14(21)4-11)18(31-28-10)27-15-6-24-12(5-25-15)7-29-8-19(22,23)9-29/h2-6H,7-9H2,1H3,(H,25,27)(H,26,30)
InChIKeyWSEYHXIVIPBSRP-UHFFFAOYSA-N
XLogP3.97
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazin-2-yl]amino]-N-(3,4-difluorophenyl)-3-methyl-1,2-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(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
N-[3-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methoxy]-4-fluorophenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118284952
N-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284895
(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
3-methyl-N-[6-(2-piperidin-4-ylethyl)-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118284994
N-[6-[[1-(2,2-difluoroethyl)-3,3-difluoropiperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118284821
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-[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
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

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazin-2-yl]amino]-N-(3,4-difluorophenyl)-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 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) is 5-[[5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazin-2-yl]amino]-N-(3,4-difluorophenyl)-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazin-2-yl]amino]-N-(3,4-difluorophenyl)-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-[[5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazin-2-yl]amino]-N-(3,4-difluorophenyl)-3-methyl-1,2-thiazole-4-carboxamide is Cc1nsc(Nc2cnc(CN3CC(F)(F)C3)cn2)c1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 5-[[5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazin-2-yl]amino]-N-(3,4-difluorophenyl)-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is WSEYHXIVIPBSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N6OS/c1-10-16(17(30)26-11-2-3-13(20)14(21)4-11)18(31-28-10)27-15-6-24-12(5-25-15)7-29-8-19(22,23)9-29/h2-6H,7-9H2,1H3,(H,25,27)(H,26,30).
What are the key properties of 5-[[5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazin-2-yl]amino]-N-(3,4-difluorophenyl)-3-methyl-1,2-thiazole-4-carboxamide?
5-[[5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazin-2-yl]amino]-N-(3,4-difluorophenyl)-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 452.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazin-2-yl]amino]-N-(3,4-difluorophenyl)-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 118279288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).