4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine

C13H22N2S — CID 63540876

IUPAC4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine
SMILESCCCC1CCC(Nc2nc(C)cs2)CC1
InChIInChI=1S/C13H22N2S/c1-3-4-11-5-7-12(8-6-11)15-13-14-10(2)9-16-13/h9,11-12H,3-8H2,1-2H3,(H,14,15)
InChIKeyONQXFMHLFJZOFI-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.22
Rot. Bonds4

About 4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine

4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine (PubChem CID 63540876) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine
PubChem CID63540876
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine
SMILESCCCC1CCC(Nc2nc(C)cs2)CC1
InChIInChI=1S/C13H22N2S/c1-3-4-11-5-7-12(8-6-11)15-13-14-10(2)9-16-13/h9,11-12H,3-8H2,1-2H3,(H,14,15)
InChIKeyONQXFMHLFJZOFI-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine (CID 63540876) is 4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine is CCCC1CCC(Nc2nc(C)cs2)CC1.
What is the InChIKey of 4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine?
The InChIKey is ONQXFMHLFJZOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-4-11-5-7-12(8-6-11)15-13-14-10(2)9-16-13/h9,11-12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine?
4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine has a molecular weight of 238.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63540876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).