N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine

C15H20N2OS — CID 79519168

IUPACN-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCCC3CCCC3)sc2c1
InChIInChI=1S/C15H20N2OS/c1-18-12-6-7-13-14(10-12)19-15(17-13)16-9-8-11-4-2-3-5-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyDONQSXZUIYSFRJ-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.30
Rot. Bonds5

About N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine

N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 79519168) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID79519168
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCCC3CCCC3)sc2c1
InChIInChI=1S/C15H20N2OS/c1-18-12-6-7-13-14(10-12)19-15(17-13)16-9-8-11-4-2-3-5-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyDONQSXZUIYSFRJ-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79518210
N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144535
N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 113479111
6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine
CID 113479115
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
methyl 3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate
CID 79518052
6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 106027416
6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 71628391
6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine
CID 79519042
6-methoxy-N-(3-methylsulfonylpropyl)-1,3-benzothiazol-2-amine
CID 79518809
N-(6-methoxy-1,3-benzothiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79512590

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine (CID 79519168) is N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(NCCC3CCCC3)sc2c1.
What is the InChIKey of N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is DONQSXZUIYSFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-18-12-6-7-13-14(10-12)19-15(17-13)16-9-8-11-4-2-3-5-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,17).
What are the key properties of N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine?
N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 276.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79519168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).