2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine

C17H24N2OS — CID 104611211

IUPAC2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
SMILESCCNC(Cc1nc2ccccc2s1)C1(OC)CCCC1
InChIInChI=1S/C17H24N2OS/c1-3-18-15(17(20-2)10-6-7-11-17)12-16-19-13-8-4-5-9-14(13)21-16/h4-5,8-9,15,18H,3,6-7,10-12H2,1-2H3
InChIKeyRAVKFVOSNFCWKU-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.78
Rot. Bonds6

About 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine

2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine (PubChem CID 104611211) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
PubChem CID104611211
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
SMILESCCNC(Cc1nc2ccccc2s1)C1(OC)CCCC1
InChIInChI=1S/C17H24N2OS/c1-3-18-15(17(20-2)10-6-7-11-17)12-16-19-13-8-4-5-9-14(13)21-16/h4-5,8-9,15,18H,3,6-7,10-12H2,1-2H3
InChIKeyRAVKFVOSNFCWKU-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzothiazol-2-yl)-1,1-dimethoxy-N-propylpropan-2-amine
CID 79819111
2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone
CID 104610095
2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 104611298
[1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105325137
2-(1,3-benzothiazol-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine
CID 79977130
2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115387042
1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine
CID 105169791
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
2-(1,3-benzothiazol-2-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 104631808
[1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206383
N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104611168
2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80641097

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine (CID 104611211) is 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine is CCNC(Cc1nc2ccccc2s1)C1(OC)CCCC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine?
The InChIKey is RAVKFVOSNFCWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-18-15(17(20-2)10-6-7-11-17)12-16-19-13-8-4-5-9-14(13)21-16/h4-5,8-9,15,18H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine?
2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine has a molecular weight of 304.46 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine is sourced from PubChem (CID 104611211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).