N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine

C17H28N2OS — CID 116777910

IUPACN-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCOC1(c2nc(C)c(CNC3CC3)s2)CCCC(C)C1
InChIInChI=1S/C17H28N2OS/c1-4-20-17(9-5-6-12(2)10-17)16-19-13(3)15(21-16)11-18-14-7-8-14/h12,14,18H,4-11H2,1-3H3
InChIKeyFFBCNUIZZICJTE-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.15
Rot. Bonds6

About N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 116777910) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID116777910
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC NameN-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCOC1(c2nc(C)c(CNC3CC3)s2)CCCC(C)C1
InChIInChI=1S/C17H28N2OS/c1-4-20-17(9-5-6-12(2)10-17)16-19-13(3)15(21-16)11-18-14-7-8-14/h12,14,18H,4-11H2,1-3H3
InChIKeyFFBCNUIZZICJTE-UHFFFAOYSA-N
XLogP4.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104611822
N-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 116742896
N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116777930
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774721
1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116777835
2-(1-ethoxy-3-methylcyclohexyl)-4-propan-2-yl-1,3-thiazole
CID 116782722
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774371
N-[[4-methyl-2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63078652
2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359987
N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116777889
N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 116774617
2-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 116776123

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 116777910) is N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCOC1(c2nc(C)c(CNC3CC3)s2)CCCC(C)C1.
What is the InChIKey of N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is FFBCNUIZZICJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-4-20-17(9-5-6-12(2)10-17)16-19-13(3)15(21-16)11-18-14-7-8-14/h12,14,18H,4-11H2,1-3H3.
What are the key properties of N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 308.49 g/mol, XLogP of 4.15, 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)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116777910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).