3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile

C11H16N4S — CID 103381202

IUPAC3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile
SMILESCN(c1snc(N)c1C#N)C1CCCCC1
InChIInChI=1S/C11H16N4S/c1-15(8-5-3-2-4-6-8)11-9(7-12)10(13)14-16-11/h8H,2-6H2,1H3,(H2,13,14)
InChIKeyOVANTOYEHJFMGV-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.37
Rot. Bonds2

About 3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile

3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile (PubChem CID 103381202) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile
PubChem CID103381202
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile
SMILESCN(c1snc(N)c1C#N)C1CCCCC1
InChIInChI=1S/C11H16N4S/c1-15(8-5-3-2-4-6-8)11-9(7-12)10(13)14-16-11/h8H,2-6H2,1H3,(H2,13,14)
InChIKeyOVANTOYEHJFMGV-UHFFFAOYSA-N
XLogP2.37
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile (CID 103381202) is 3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile is CN(c1snc(N)c1C#N)C1CCCCC1.
What is the InChIKey of 3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile?
The InChIKey is OVANTOYEHJFMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-15(8-5-3-2-4-6-8)11-9(7-12)10(13)14-16-11/h8H,2-6H2,1H3,(H2,13,14).
What are the key properties of 3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile?
3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile has a molecular weight of 236.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103381202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).