N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1,3-thiazole-2-carboxamide

C16H15F3N4OS — CID 126590980

IUPACN-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1,3-thiazole-2-carboxamide
SMILESCC1CC(F)(F)C(c2cc(NC(=O)c3nccs3)ccc2F)N=C1N
InChIInChI=1S/C16H15F3N4OS/c1-8-7-16(18,19)12(23-13(8)20)10-6-9(2-3-11(10)17)22-14(24)15-21-4-5-25-15/h2-6,8,12H,7H2,1H3,(H2,20,23)(H,22,24)
InChIKeyJJRJGKZXGGDPPL-UHFFFAOYSA-N
MW368.38 g/mol
LogP3.61
Rot. Bonds3

About N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1,3-thiazole-2-carboxamide

N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1,3-thiazole-2-carboxamide (PubChem CID 126590980) has the molecular formula C16H15F3N4OS and a molecular weight of 368.38 g/mol. Its IUPAC name is N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1,3-thiazole-2-carboxamide
PubChem CID126590980
Molecular FormulaC16H15F3N4OS
Molecular Weight368.38 g/mol
Exact Mass368.09
IUPAC NameN-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1,3-thiazole-2-carboxamide
SMILESCC1CC(F)(F)C(c2cc(NC(=O)c3nccs3)ccc2F)N=C1N
InChIInChI=1S/C16H15F3N4OS/c1-8-7-16(18,19)12(23-13(8)20)10-6-9(2-3-11(10)17)22-14(24)15-21-4-5-25-15/h2-6,8,12H,7H2,1H3,(H2,20,23)(H,22,24)
InChIKeyJJRJGKZXGGDPPL-UHFFFAOYSA-N
XLogP3.61
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 126590979
N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1-methylpyrazole-3-carboxamide
CID 126591031
N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 42645473
N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide
CID 110696027
N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
CID 110696023
N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide
CID 110696014
N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18072743
N-(1-methylindazol-6-yl)-1,3-thiazole-2-carboxamide
CID 110467967
N-(4-butylphenyl)-1,3-thiazole-2-carboxamide
CID 110486206
N-(5-methylthiophen-2-yl)-1,3-thiazole-2-carboxamide
CID 146277087
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
N-[3-(5-amino-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 126634016

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1,3-thiazole-2-carboxamide (CID 126590980) is N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1,3-thiazole-2-carboxamide is CC1CC(F)(F)C(c2cc(NC(=O)c3nccs3)ccc2F)N=C1N.
What is the InChIKey of N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is JJRJGKZXGGDPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4OS/c1-8-7-16(18,19)12(23-13(8)20)10-6-9(2-3-11(10)17)22-14(24)15-21-4-5-25-15/h2-6,8,12H,7H2,1H3,(H2,20,23)(H,22,24).
What are the key properties of N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1,3-thiazole-2-carboxamide?
N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 368.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-amino-3,3-difluoro-5-methyl-4,5-dihydro-2H-pyridin-2-yl)-4-fluorophenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 126590980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).