1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethyl-N-propylcyclohexan-1-amine

C17H30N2S — CID 64755391

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2nc(CC)c(C)s2)CCC(C)CC1C
InChIInChI=1S/C17H30N2S/c1-6-10-18-17(9-8-12(3)11-13(17)4)16-19-15(7-2)14(5)20-16/h12-13,18H,6-11H2,1-5H3
InChIKeyXJYWNNGLLURMON-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.66
Rot. Bonds5

About 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethyl-N-propylcyclohexan-1-amine

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64755391) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64755391
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2nc(CC)c(C)s2)CCC(C)CC1C
InChIInChI=1S/C17H30N2S/c1-6-10-18-17(9-8-12(3)11-13(17)4)16-19-15(7-2)14(5)20-16/h12-13,18H,6-11H2,1-5H3
InChIKeyXJYWNNGLLURMON-UHFFFAOYSA-N
XLogP4.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethyl-N-propylcyclohexan-1-amine (CID 64755391) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethyl-N-propylcyclohexan-1-amine is CCCNC1(c2nc(CC)c(C)s2)CCC(C)CC1C.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is XJYWNNGLLURMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-6-10-18-17(9-8-12(3)11-13(17)4)16-19-15(7-2)14(5)20-16/h12-13,18H,6-11H2,1-5H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethyl-N-propylcyclohexan-1-amine?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64755391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).