N-[2-[3-(4-cyano-3,5-difluorophenyl)pyrazol-1-yl]propyl]-2-(cyanomethyl)-1,3-thiazole-4-carboxamide

C19H14F2N6OS — CID 67171221

IUPACN-[2-[3-(4-cyano-3,5-difluorophenyl)pyrazol-1-yl]propyl]-2-(cyanomethyl)-1,3-thiazole-4-carboxamide
SMILESCC(CNC(=O)c1csc(CC#N)n1)n1ccc(-c2cc(F)c(C#N)c(F)c2)n1
InChIInChI=1S/C19H14F2N6OS/c1-11(9-24-19(28)17-10-29-18(25-17)2-4-22)27-5-3-16(26-27)12-6-14(20)13(8-23)15(21)7-12/h3,5-7,10-11H,2,9H2,1H3,(H,24,28)
InChIKeyNKDNPQJJLXRCBH-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.21
Rot. Bonds6

About N-[2-[3-(4-cyano-3,5-difluorophenyl)pyrazol-1-yl]propyl]-2-(cyanomethyl)-1,3-thiazole-4-carboxamide

N-[2-[3-(4-cyano-3,5-difluorophenyl)pyrazol-1-yl]propyl]-2-(cyanomethyl)-1,3-thiazole-4-carboxamide (PubChem CID 67171221) has the molecular formula C19H14F2N6OS and a molecular weight of 412.43 g/mol. Its IUPAC name is N-[2-[3-(4-cyano-3,5-difluorophenyl)pyrazol-1-yl]propyl]-2-(cyanomethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-cyano-3,5-difluorophenyl)pyrazol-1-yl]propyl]-2-(cyanomethyl)-1,3-thiazole-4-carboxamide
PubChem CID67171221
Molecular FormulaC19H14F2N6OS
Molecular Weight412.43 g/mol
Exact Mass412.09
IUPAC NameN-[2-[3-(4-cyano-3,5-difluorophenyl)pyrazol-1-yl]propyl]-2-(cyanomethyl)-1,3-thiazole-4-carboxamide
SMILESCC(CNC(=O)c1csc(CC#N)n1)n1ccc(-c2cc(F)c(C#N)c(F)c2)n1
InChIInChI=1S/C19H14F2N6OS/c1-11(9-24-19(28)17-10-29-18(25-17)2-4-22)27-5-3-16(26-27)12-6-14(20)13(8-23)15(21)7-12/h3,5-7,10-11H,2,9H2,1H3,(H,24,28)
InChIKeyNKDNPQJJLXRCBH-UHFFFAOYSA-N
XLogP3.21
TPSA107.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-[5-(4-amino-5-fluorocycloheptyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 123616291
5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-1H-pyrazol-4-yl)thiazole-4-carboxamide
CID 58464924
N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide
CID 994839
(2S)-N-[3-(1-methylpyrazol-4-yl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67496991
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 155754952
5-amino-N-(5-(4-aminocyclohexyl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 58464763
5-amino-N-(5-((4R,5R)-4-amino-5-fluorocycloheptyl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 74983213
5-amino-N-[5-(3,3-difluorocycloheptyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 74983218
5-amino-N-[5-[(4R,5S)-4-amino-5-fluorocycloheptyl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 74983223
(2S)-N-[5-(1-methylpyrazol-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 70693017
N-[[4-(aminomethyl)phenyl]methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 168292184
5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 58464798

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-cyano-3,5-difluorophenyl)pyrazol-1-yl]propyl]-2-(cyanomethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[3-(4-cyano-3,5-difluorophenyl)pyrazol-1-yl]propyl]-2-(cyanomethyl)-1,3-thiazole-4-carboxamide (CID 67171221) is N-[2-[3-(4-cyano-3,5-difluorophenyl)pyrazol-1-yl]propyl]-2-(cyanomethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[3-(4-cyano-3,5-difluorophenyl)pyrazol-1-yl]propyl]-2-(cyanomethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[3-(4-cyano-3,5-difluorophenyl)pyrazol-1-yl]propyl]-2-(cyanomethyl)-1,3-thiazole-4-carboxamide is CC(CNC(=O)c1csc(CC#N)n1)n1ccc(-c2cc(F)c(C#N)c(F)c2)n1.
What is the InChIKey of N-[2-[3-(4-cyano-3,5-difluorophenyl)pyrazol-1-yl]propyl]-2-(cyanomethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NKDNPQJJLXRCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6OS/c1-11(9-24-19(28)17-10-29-18(25-17)2-4-22)27-5-3-16(26-27)12-6-14(20)13(8-23)15(21)7-12/h3,5-7,10-11H,2,9H2,1H3,(H,24,28).
What are the key properties of N-[2-[3-(4-cyano-3,5-difluorophenyl)pyrazol-1-yl]propyl]-2-(cyanomethyl)-1,3-thiazole-4-carboxamide?
N-[2-[3-(4-cyano-3,5-difluorophenyl)pyrazol-1-yl]propyl]-2-(cyanomethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 412.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-cyano-3,5-difluorophenyl)pyrazol-1-yl]propyl]-2-(cyanomethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67171221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).