2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclohex-3-en-1-ylpyridine-3-carbonitrile

C16H17N5S — CID 56864056

IUPAC2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclohex-3-en-1-ylpyridine-3-carbonitrile
SMILESCc1nc(N)sc1-c1cc(C2CC=CCC2)c(C#N)c(N)n1
InChIInChI=1S/C16H17N5S/c1-9-14(22-16(19)20-9)13-7-11(10-5-3-2-4-6-10)12(8-17)15(18)21-13/h2-3,7,10H,4-6H2,1H3,(H2,18,21)(H2,19,20)
InChIKeyFAQDQQIFRRSPGL-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.37
Rot. Bonds2

About 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclohex-3-en-1-ylpyridine-3-carbonitrile

2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclohex-3-en-1-ylpyridine-3-carbonitrile (PubChem CID 56864056) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclohex-3-en-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclohex-3-en-1-ylpyridine-3-carbonitrile
PubChem CID56864056
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclohex-3-en-1-ylpyridine-3-carbonitrile
SMILESCc1nc(N)sc1-c1cc(C2CC=CCC2)c(C#N)c(N)n1
InChIInChI=1S/C16H17N5S/c1-9-14(22-16(19)20-9)13-7-11(10-5-3-2-4-6-10)12(8-17)15(18)21-13/h2-3,7,10H,4-6H2,1H3,(H2,18,21)(H2,19,20)
InChIKeyFAQDQQIFRRSPGL-UHFFFAOYSA-N
XLogP3.37
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 95552721
2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-(3,5-difluoro-4-methoxyphenyl)pyridine-3-carbonitrile
CID 56871551
2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile
CID 56863982
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-4-(2,4-dimethyl-1,3-thiazol-5-yl)-6-thiophen-3-ylpyridine-3-carbonitrile
CID 56755055
5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 126477214
2-cyclohex-3-en-1-ylbenzonitrile
CID 66632923
2-amino-6-(2-hydroxyphenyl)-4-(1-propylpiperidin-3-yl)pyridine-3-carbonitrile;methane
CID 157316787
2-amino-6-(6-methyl-1H-benzimidazol-2-yl)-4-[(3R)-oxolan-3-yl]pyridine-3-carbonitrile
CID 95469054
3-[2-amino-5-(2-cyclopropyl-6-methyl-4-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
CID 162688389
2-cyclopropyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-4-amine
CID 122238988
5-(2-ethyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine
CID 82162091

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclohex-3-en-1-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclohex-3-en-1-ylpyridine-3-carbonitrile (CID 56864056) is 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclohex-3-en-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclohex-3-en-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclohex-3-en-1-ylpyridine-3-carbonitrile is Cc1nc(N)sc1-c1cc(C2CC=CCC2)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclohex-3-en-1-ylpyridine-3-carbonitrile?
The InChIKey is FAQDQQIFRRSPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-9-14(22-16(19)20-9)13-7-11(10-5-3-2-4-6-10)12(8-17)15(18)21-13/h2-3,7,10H,4-6H2,1H3,(H2,18,21)(H2,19,20).
What are the key properties of 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclohex-3-en-1-ylpyridine-3-carbonitrile?
2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclohex-3-en-1-ylpyridine-3-carbonitrile has a molecular weight of 311.41 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 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-cyclohex-3-en-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 56864056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).