N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine

C15H20N2S — CID 62632788

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine
SMILESCC(NCc1nc2ccccc2s1)C1CCCC1
InChIInChI=1S/C15H20N2S/c1-11(12-6-2-3-7-12)16-10-15-17-13-8-4-5-9-14(13)18-15/h4-5,8-9,11-12,16H,2-3,6-7,10H2,1H3
InChIKeyOGXSTYJTLXOTDV-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.96
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine

N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine (PubChem CID 62632788) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine
PubChem CID62632788
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine
SMILESCC(NCc1nc2ccccc2s1)C1CCCC1
InChIInChI=1S/C15H20N2S/c1-11(12-6-2-3-7-12)16-10-15-17-13-8-4-5-9-14(13)18-15/h4-5,8-9,11-12,16H,2-3,6-7,10H2,1H3
InChIKeyOGXSTYJTLXOTDV-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-3-methylpentan-2-amine
CID 43204584
N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43226409
N-(1,3-benzothiazol-2-ylmethyl)-1-methylsulfonylpropan-2-amine
CID 64629909
(1R)-1-cyclopentyl-N-(quinolin-2-ylmethyl)ethanamine
CID 81395320
N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine
CID 29275051
(1R)-N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 28665251
2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine
CID 43118643
(1S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(2-chlorophenyl)ethanamine
CID 29054834
N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501242
N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine
CID 104631791
4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol
CID 103603751
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64724022

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine (CID 62632788) is N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine is CC(NCc1nc2ccccc2s1)C1CCCC1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine?
The InChIKey is OGXSTYJTLXOTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11(12-6-2-3-7-12)16-10-15-17-13-8-4-5-9-14(13)18-15/h4-5,8-9,11-12,16H,2-3,6-7,10H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine?
N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine is sourced from PubChem (CID 62632788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).