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

C14H24N2OS — CID 106873373

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N-methylcyclohexan-1-amine
SMILESCCc1nc(C2(NC)CCCC(OC)C2)sc1C
InChIInChI=1S/C14H24N2OS/c1-5-12-10(2)18-13(16-12)14(15-3)8-6-7-11(9-14)17-4/h11,15H,5-9H2,1-4H3
InChIKeyPSDSKKFWGPQIHD-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.02
Rot. Bonds4

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

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N-methylcyclohexan-1-amine (PubChem CID 106873373) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N-methylcyclohexan-1-amine
PubChem CID106873373
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N-methylcyclohexan-1-amine
SMILESCCc1nc(C2(NC)CCCC(OC)C2)sc1C
InChIInChI=1S/C14H24N2OS/c1-5-12-10(2)18-13(16-12)14(15-3)8-6-7-11(9-14)17-4/h11,15H,5-9H2,1-4H3
InChIKeyPSDSKKFWGPQIHD-UHFFFAOYSA-N
XLogP3.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N-methylcyclohexan-1-amine (CID 106873373) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N-methylcyclohexan-1-amine is CCc1nc(C2(NC)CCCC(OC)C2)sc1C.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N-methylcyclohexan-1-amine?
The InChIKey is PSDSKKFWGPQIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-5-12-10(2)18-13(16-12)14(15-3)8-6-7-11(9-14)17-4/h11,15H,5-9H2,1-4H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N-methylcyclohexan-1-amine?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methoxy-N-methylcyclohexan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 3.02, 4 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)-3-methoxy-N-methylcyclohexan-1-amine is sourced from PubChem (CID 106873373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).