N-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

C16H28N2S — CID 65391520

IUPACN-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(C2CCC(CC)CC2)s1
InChIInChI=1S/C16H28N2S/c1-4-10-17-12(3)15-11-18-16(19-15)14-8-6-13(5-2)7-9-14/h11-14,17H,4-10H2,1-3H3
InChIKeyNIIHWMHXSSPZDV-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.89
Rot. Bonds6

About N-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 65391520) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID65391520
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(C2CCC(CC)CC2)s1
InChIInChI=1S/C16H28N2S/c1-4-10-17-12(3)15-11-18-16(19-15)14-8-6-13(5-2)7-9-14/h11-14,17H,4-10H2,1-3H3
InChIKeyNIIHWMHXSSPZDV-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 65391518
N-[1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 115998367
N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63513731
N-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65328204
N-[1-[2-(5-methyloxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 82838748
N-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 79980515
N-[1-[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62751961
N-[1-[2-(2-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 79978094
1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 65399762
N-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 83221091
N-(cyclobutylmethyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62854238
N-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089955

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 65391520) is N-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(C2CCC(CC)CC2)s1.
What is the InChIKey of N-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is NIIHWMHXSSPZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-10-17-12(3)15-11-18-16(19-15)14-8-6-13(5-2)7-9-14/h11-14,17H,4-10H2,1-3H3.
What are the key properties of N-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65391520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).