1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine

C16H28N2OS — CID 62543641

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine
SMILESCCc1nc(C2(NCCOC)CCCCC2C)sc1C
InChIInChI=1S/C16H28N2OS/c1-5-14-13(3)20-15(18-14)16(17-10-11-19-4)9-7-6-8-12(16)2/h12,17H,5-11H2,1-4H3
InChIKeyHBCRRWBLWLLHLJ-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.66
Rot. Bonds6

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

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine (PubChem CID 62543641) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine
PubChem CID62543641
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine
SMILESCCc1nc(C2(NCCOC)CCCCC2C)sc1C
InChIInChI=1S/C16H28N2OS/c1-5-14-13(3)20-15(18-14)16(17-10-11-19-4)9-7-6-8-12(16)2/h12,17H,5-11H2,1-4H3
InChIKeyHBCRRWBLWLLHLJ-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine (CID 62543641) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine is CCc1nc(C2(NCCOC)CCCCC2C)sc1C.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine?
The InChIKey is HBCRRWBLWLLHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-5-14-13(3)20-15(18-14)16(17-10-11-19-4)9-7-6-8-12(16)2/h12,17H,5-11H2,1-4H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 62543641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).