3-methyl-5-[2-(4-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carbonitrile

C14H21N3S — CID 79375303

IUPAC3-methyl-5-[2-(4-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NCCC2CCC(C)CC2)c1C#N
InChIInChI=1S/C14H21N3S/c1-10-3-5-12(6-4-10)7-8-16-14-13(9-15)11(2)17-18-14/h10,12,16H,3-8H2,1-2H3
InChIKeyJKNGDESZDAASCZ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.95
Rot. Bonds4

About 3-methyl-5-[2-(4-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carbonitrile

3-methyl-5-[2-(4-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carbonitrile (PubChem CID 79375303) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-methyl-5-[2-(4-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-5-[2-(4-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carbonitrile
PubChem CID79375303
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name3-methyl-5-[2-(4-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NCCC2CCC(C)CC2)c1C#N
InChIInChI=1S/C14H21N3S/c1-10-3-5-12(6-4-10)7-8-16-14-13(9-15)11(2)17-18-14/h10,12,16H,3-8H2,1-2H3
InChIKeyJKNGDESZDAASCZ-UHFFFAOYSA-N
XLogP3.95
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(4-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-methyl-5-[2-(4-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carbonitrile (CID 79375303) is 3-methyl-5-[2-(4-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-5-[2-(4-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-methyl-5-[2-(4-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carbonitrile is Cc1nsc(NCCC2CCC(C)CC2)c1C#N.
What is the InChIKey of 3-methyl-5-[2-(4-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carbonitrile?
The InChIKey is JKNGDESZDAASCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-10-3-5-12(6-4-10)7-8-16-14-13(9-15)11(2)17-18-14/h10,12,16H,3-8H2,1-2H3.
What are the key properties of 3-methyl-5-[2-(4-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carbonitrile?
3-methyl-5-[2-(4-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carbonitrile has a molecular weight of 263.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(4-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 79375303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).