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

C16H26N2S — CID 65415450

IUPACN-[[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCC1CCCC(c2nc(C)c(CNC3CC3)s2)C1
InChIInChI=1S/C16H26N2S/c1-3-12-5-4-6-13(9-12)16-18-11(2)15(19-16)10-17-14-7-8-14/h12-14,17H,3-10H2,1-2H3
InChIKeyJDFVEUBTKCWWSJ-UHFFFAOYSA-N
MW278.46 g/mol
LogP4.39
Rot. Bonds5

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

N-[[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 65415450) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-[[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID65415450
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-[[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCC1CCCC(c2nc(C)c(CNC3CC3)s2)C1
InChIInChI=1S/C16H26N2S/c1-3-12-5-4-6-13(9-12)16-18-11(2)15(19-16)10-17-14-7-8-14/h12-14,17H,3-10H2,1-2H3
InChIKeyJDFVEUBTKCWWSJ-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 65414439
1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65406205
N-[[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 65334244
1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841091
1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365976
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62403369
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62403380
2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62404624
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 115562469
2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 116884572
N-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 112681681
N-[[2-(oxan-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364493

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 65415450) is N-[[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCC1CCCC(c2nc(C)c(CNC3CC3)s2)C1.
What is the InChIKey of N-[[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is JDFVEUBTKCWWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-3-12-5-4-6-13(9-12)16-18-11(2)15(19-16)10-17-14-7-8-14/h12-14,17H,3-10H2,1-2H3.
What are the key properties of N-[[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 278.46 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65415450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).