1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine

C16H22N2S — CID 54932145

IUPAC1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine
SMILESCC(NCCC1CCCC1)c1nc2ccccc2s1
InChIInChI=1S/C16H22N2S/c1-12(17-11-10-13-6-2-3-7-13)16-18-14-8-4-5-9-15(14)19-16/h4-5,8-9,12-13,17H,2-3,6-7,10-11H2,1H3
InChIKeyMGKODHDOTPQPII-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.53
Rot. Bonds5

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

1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine (PubChem CID 54932145) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine
PubChem CID54932145
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine
SMILESCC(NCCC1CCCC1)c1nc2ccccc2s1
InChIInChI=1S/C16H22N2S/c1-12(17-11-10-13-6-2-3-7-13)16-18-14-8-4-5-9-15(14)19-16/h4-5,8-9,12-13,17H,2-3,6-7,10-11H2,1H3
InChIKeyMGKODHDOTPQPII-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-(thian-4-ylmethyl)ethanamine
CID 115719986
1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 103782827
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62976259
1-(1,3-benzothiazol-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 60672734
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43181788
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 43179013
1-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78914354
N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine
CID 63450474
N-(2-cyclobutylethyl)-1-phenylethanamine
CID 115688569
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylsulfinylpropan-1-amine
CID 113261728
1-(1,3-benzothiazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 115713749
1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 63897986

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine (CID 54932145) is 1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine is CC(NCCC1CCCC1)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine?
The InChIKey is MGKODHDOTPQPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12(17-11-10-13-6-2-3-7-13)16-18-14-8-4-5-9-15(14)19-16/h4-5,8-9,12-13,17H,2-3,6-7,10-11H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine?
1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine has a molecular weight of 274.43 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine is sourced from PubChem (CID 54932145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).