5-[(4-ethylcyclohexyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile

C14H21N3S — CID 79375225

IUPAC5-[(4-ethylcyclohexyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCCC1CCC(CNc2snc(C)c2C#N)CC1
InChIInChI=1S/C14H21N3S/c1-3-11-4-6-12(7-5-11)9-16-14-13(8-15)10(2)17-18-14/h11-12,16H,3-7,9H2,1-2H3
InChIKeyQFBNCOLWTUIOGE-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.95
Rot. Bonds4

About 5-[(4-ethylcyclohexyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile

5-[(4-ethylcyclohexyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile (PubChem CID 79375225) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 5-[(4-ethylcyclohexyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(4-ethylcyclohexyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile
PubChem CID79375225
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name5-[(4-ethylcyclohexyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCCC1CCC(CNc2snc(C)c2C#N)CC1
InChIInChI=1S/C14H21N3S/c1-3-11-4-6-12(7-5-11)9-16-14-13(8-15)10(2)17-18-14/h11-12,16H,3-7,9H2,1-2H3
InChIKeyQFBNCOLWTUIOGE-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 5-[(4-ethylcyclohexyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-[(4-ethylcyclohexyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile (CID 79375225) is 5-[(4-ethylcyclohexyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-[(4-ethylcyclohexyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-[(4-ethylcyclohexyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile is CCC1CCC(CNc2snc(C)c2C#N)CC1.
What is the InChIKey of 5-[(4-ethylcyclohexyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile?
The InChIKey is QFBNCOLWTUIOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-3-11-4-6-12(7-5-11)9-16-14-13(8-15)10(2)17-18-14/h11-12,16H,3-7,9H2,1-2H3.
What are the key properties of 5-[(4-ethylcyclohexyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile?
5-[(4-ethylcyclohexyl)methylamino]-3-methyl-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 5-[(4-ethylcyclohexyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 79375225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).