(1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine

C16H28N2S — CID 81390319

IUPAC(1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)N[C@@H](C)C2CCCCCC2)c(C)s1
InChIInChI=1S/C16H28N2S/c1-11(15-9-7-5-6-8-10-15)17-12(2)16-13(3)19-14(4)18-16/h11-12,15,17H,5-10H2,1-4H3/t11-,12?/m0/s1
InChIKeyGZHVGPQEZKJDJY-PXYINDEMSA-N
MW280.48 g/mol
LogP4.77
Rot. Bonds4

About (1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine

(1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 81390319) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID81390319
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name(1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)N[C@@H](C)C2CCCCCC2)c(C)s1
InChIInChI=1S/C16H28N2S/c1-11(15-9-7-5-6-8-10-15)17-12(2)16-13(3)19-14(4)18-16/h11-12,15,17H,5-10H2,1-4H3/t11-,12?/m0/s1
InChIKeyGZHVGPQEZKJDJY-PXYINDEMSA-N
XLogP4.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43204195
2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid
CID 65059809
N'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine
CID 60980294
N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine
CID 63315017
N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine
CID 115753114
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 26722635
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 113278101
(2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-methylbutan-1-ol
CID 79254185
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79862030
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 43535437

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine (CID 81390319) is (1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine is Cc1nc(C(C)N[C@@H](C)C2CCCCCC2)c(C)s1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is GZHVGPQEZKJDJY-PXYINDEMSA-N. The full InChI is InChI=1S/C16H28N2S/c1-11(15-9-7-5-6-8-10-15)17-12(2)16-13(3)19-14(4)18-16/h11-12,15,17H,5-10H2,1-4H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
(1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 280.48 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 81390319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).