4,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine

C13H22N2S — CID 65168328

IUPAC4,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CCC(C)CC2)sc1C
InChIInChI=1S/C13H22N2S/c1-9-4-6-12(7-5-9)8-14-13-15-10(2)11(3)16-13/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyJFSVRKQMBINRTN-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.00
Rot. Bonds3

About 4,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine

4,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine (PubChem CID 65168328) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine
PubChem CID65168328
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name4,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CCC(C)CC2)sc1C
InChIInChI=1S/C13H22N2S/c1-9-4-6-12(7-5-9)8-14-13-15-10(2)11(3)16-13/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyJFSVRKQMBINRTN-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine (CID 65168328) is 4,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine is Cc1nc(NCC2CCC(C)CC2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is JFSVRKQMBINRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-9-4-6-12(7-5-9)8-14-13-15-10(2)11(3)16-13/h9,12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 238.40 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65168328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).