2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(3,5-difluoro-4-methoxyphenyl)pyridine-3-carbonitrile

C17H13F2N5OS — CID 56871551

IUPAC2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(3,5-difluoro-4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1c(F)cc(-c2cc(-c3sc(N)nc3C)nc(N)c2C#N)cc1F
InChIInChI=1S/C17H13F2N5OS/c1-7-15(26-17(22)23-7)13-5-9(10(6-20)16(21)24-13)8-3-11(18)14(25-2)12(19)4-8/h3-5H,1-2H3,(H2,21,24)(H2,22,23)
InChIKeyNMXMFGCCKDZXPL-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.50
Rot. Bonds3

About 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(3,5-difluoro-4-methoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(3,5-difluoro-4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 56871551) has the molecular formula C17H13F2N5OS and a molecular weight of 373.39 g/mol. Its IUPAC name is 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(3,5-difluoro-4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(3,5-difluoro-4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID56871551
Molecular FormulaC17H13F2N5OS
Molecular Weight373.39 g/mol
Exact Mass373.08
IUPAC Name2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(3,5-difluoro-4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1c(F)cc(-c2cc(-c3sc(N)nc3C)nc(N)c2C#N)cc1F
InChIInChI=1S/C17H13F2N5OS/c1-7-15(26-17(22)23-7)13-5-9(10(6-20)16(21)24-13)8-3-11(18)14(25-2)12(19)4-8/h3-5H,1-2H3,(H2,21,24)(H2,22,23)
InChIKeyNMXMFGCCKDZXPL-UHFFFAOYSA-N
XLogP3.50
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]pyridine-3-carbonitrile
CID 56868506
2-amino-6-(3,4-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
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2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclohex-3-en-1-ylpyridine-3-carbonitrile
CID 56864056
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CID 4636477
2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile
CID 3498060
2-amino-4-(2,4-dimethyl-1,3-thiazol-5-yl)-6-thiophen-3-ylpyridine-3-carbonitrile
CID 56755055
2,4-diamino-6-(3-fluoro-4,5-dimethoxyphenyl)pyrimidine-5-carbonitrile
CID 169398230
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
2-amino-4-(4-chloro-3-fluorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230669
2-amino-6-(2-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119022
2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile
CID 3371344
2-amino-4-(2,5-difluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(3,5-difluoro-4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(3,5-difluoro-4-methoxyphenyl)pyridine-3-carbonitrile (CID 56871551) is 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(3,5-difluoro-4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(3,5-difluoro-4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(3,5-difluoro-4-methoxyphenyl)pyridine-3-carbonitrile is COc1c(F)cc(-c2cc(-c3sc(N)nc3C)nc(N)c2C#N)cc1F.
What is the InChIKey of 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(3,5-difluoro-4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is NMXMFGCCKDZXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5OS/c1-7-15(26-17(22)23-7)13-5-9(10(6-20)16(21)24-13)8-3-11(18)14(25-2)12(19)4-8/h3-5H,1-2H3,(H2,21,24)(H2,22,23).
What are the key properties of 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(3,5-difluoro-4-methoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(3,5-difluoro-4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 373.39 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(3,5-difluoro-4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 56871551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).