N-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine

C15H20N2S — CID 82500700

IUPACN-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine
SMILESCc1nc2cc(CCNC3CCCC3)ccc2s1
InChIInChI=1S/C15H20N2S/c1-11-17-14-10-12(6-7-15(14)18-11)8-9-16-13-4-2-3-5-13/h6-7,10,13,16H,2-5,8-9H2,1H3
InChIKeyJFEUORLVQCMZLZ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.68
Rot. Bonds4

About N-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine

N-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine (PubChem CID 82500700) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine
PubChem CID82500700
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine
SMILESCc1nc2cc(CCNC3CCCC3)ccc2s1
InChIInChI=1S/C15H20N2S/c1-11-17-14-10-12(6-7-15(14)18-11)8-9-16-13-4-2-3-5-13/h6-7,10,13,16H,2-5,8-9H2,1H3
InChIKeyJFEUORLVQCMZLZ-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine (CID 82500700) is N-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine is Cc1nc2cc(CCNC3CCCC3)ccc2s1.
What is the InChIKey of N-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine?
The InChIKey is JFEUORLVQCMZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-17-14-10-12(6-7-15(14)18-11)8-9-16-13-4-2-3-5-13/h6-7,10,13,16H,2-5,8-9H2,1H3.
What are the key properties of N-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine?
N-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine has a molecular weight of 260.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine is sourced from PubChem (CID 82500700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).