N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C17H30N2OS — CID 116777930

IUPACN-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOC1(c2nc(C)c(CNC(C)(C)C)s2)CCCC(C)C1
InChIInChI=1S/C17H30N2OS/c1-12-8-7-9-17(10-12,20-6)15-19-13(2)14(21-15)11-18-16(3,4)5/h12,18H,7-11H2,1-6H3
InChIKeyLOQKYLJGHPELLA-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.39
Rot. Bonds4

About N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 116777930) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID116777930
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOC1(c2nc(C)c(CNC(C)(C)C)s2)CCCC(C)C1
InChIInChI=1S/C17H30N2OS/c1-12-8-7-9-17(10-12,20-6)15-19-13(2)14(21-15)11-18-16(3,4)5/h12,18H,7-11H2,1-6H3
InChIKeyLOQKYLJGHPELLA-UHFFFAOYSA-N
XLogP4.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 116777930) is N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is COC1(c2nc(C)c(CNC(C)(C)C)s2)CCCC(C)C1.
What is the InChIKey of N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is LOQKYLJGHPELLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-12-8-7-9-17(10-12,20-6)15-19-13(2)14(21-15)11-18-16(3,4)5/h12,18H,7-11H2,1-6H3.
What are the key properties of N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 310.51 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 116777930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).