1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylcyclohexan-1-amine

C12H20N2S — CID 61330080

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylcyclohexan-1-amine
SMILESCc1nc(C2(N)CCCCC2C)sc1C
InChIInChI=1S/C12H20N2S/c1-8-6-4-5-7-12(8,13)11-14-9(2)10(3)15-11/h8H,4-7,13H2,1-3H3
InChIKeyCJODOKVRBVGGMY-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.12
Rot. Bonds1

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylcyclohexan-1-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylcyclohexan-1-amine (PubChem CID 61330080) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylcyclohexan-1-amine
PubChem CID61330080
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylcyclohexan-1-amine
SMILESCc1nc(C2(N)CCCCC2C)sc1C
InChIInChI=1S/C12H20N2S/c1-8-6-4-5-7-12(8,13)11-14-9(2)10(3)15-11/h8H,4-7,13H2,1-3H3
InChIKeyCJODOKVRBVGGMY-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylcyclohexan-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylcyclohexan-1-amine (CID 61330080) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylcyclohexan-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylcyclohexan-1-amine is Cc1nc(C2(N)CCCCC2C)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylcyclohexan-1-amine?
The InChIKey is CJODOKVRBVGGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-8-6-4-5-7-12(8,13)11-14-9(2)10(3)15-11/h8H,4-7,13H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylcyclohexan-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylcyclohexan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 61330080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).