N-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C16H28N2O2S — CID 114366160

IUPACN-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2(OCC)CCCCC2)nc1COC
InChIInChI=1S/C16H28N2O2S/c1-4-17-11-14-13(12-19-3)18-15(21-14)16(20-5-2)9-7-6-8-10-16/h17H,4-12H2,1-3H3
InChIKeyQQDVNZJQKLGBOM-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.59
Rot. Bonds8

About N-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114366160) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114366160
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2(OCC)CCCCC2)nc1COC
InChIInChI=1S/C16H28N2O2S/c1-4-17-11-14-13(12-19-3)18-15(21-14)16(20-5-2)9-7-6-8-10-16/h17H,4-12H2,1-3H3
InChIKeyQQDVNZJQKLGBOM-UHFFFAOYSA-N
XLogP3.59
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114366160) is N-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(C2(OCC)CCCCC2)nc1COC.
What is the InChIKey of N-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is QQDVNZJQKLGBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-4-17-11-14-13(12-19-3)18-15(21-14)16(20-5-2)9-7-6-8-10-16/h17H,4-12H2,1-3H3.
What are the key properties of N-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 312.48 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114366160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).