N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C16H28N2OS — CID 116774371

IUPACN-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCOC1(c2ncc(CNC(C)C)s2)CCCC(C)C1
InChIInChI=1S/C16H28N2OS/c1-5-19-16(8-6-7-13(4)9-16)15-18-11-14(20-15)10-17-12(2)3/h11-13,17H,5-10H2,1-4H3
InChIKeyUPEQSXJOYORZFA-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.08
Rot. Bonds6

About N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 116774371) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID116774371
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCOC1(c2ncc(CNC(C)C)s2)CCCC(C)C1
InChIInChI=1S/C16H28N2OS/c1-5-19-16(8-6-7-13(4)9-16)15-18-11-14(20-15)10-17-12(2)3/h11-13,17H,5-10H2,1-4H3
InChIKeyUPEQSXJOYORZFA-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774380
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 116779805
2-(1-ethoxy-3-methylcyclohexyl)-4-propan-2-yl-1,3-thiazole
CID 116782722
N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 116774617
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774721
2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole
CID 116782816
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 116777983
N-[1-[2-(1-ethoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 116774538
N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116777910
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116774361
N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116727622
1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116774317

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 116774371) is N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CCOC1(c2ncc(CNC(C)C)s2)CCCC(C)C1.
What is the InChIKey of N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is UPEQSXJOYORZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-5-19-16(8-6-7-13(4)9-16)15-18-11-14(20-15)10-17-12(2)3/h11-13,17H,5-10H2,1-4H3.
What are the key properties of N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 296.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 116774371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).