1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C15H26N2OS — CID 114365976

IUPAC1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCC1CCCC(c2nc(COC)c(CNC)s2)C1
InChIInChI=1S/C15H26N2OS/c1-4-11-6-5-7-12(8-11)15-17-13(10-18-3)14(19-15)9-16-2/h11-12,16H,4-10H2,1-3H3
InChIKeyDTUWSGSVHQVYNC-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.69
Rot. Bonds6

About 1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114365976) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114365976
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCC1CCCC(c2nc(COC)c(CNC)s2)C1
InChIInChI=1S/C15H26N2OS/c1-4-11-6-5-7-12(8-11)15-17-13(10-18-3)14(19-15)9-16-2/h11-12,16H,4-10H2,1-3H3
InChIKeyDTUWSGSVHQVYNC-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114365976) is 1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CCC1CCCC(c2nc(COC)c(CNC)s2)C1.
What is the InChIKey of 1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is DTUWSGSVHQVYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-4-11-6-5-7-12(8-11)15-17-13(10-18-3)14(19-15)9-16-2/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 282.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114365976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).