[2-(1,3-benzothiazol-2-ylmethoxymethyl)cyclopentyl]methanamine

C15H20N2OS — CID 104631430

IUPAC[2-(1,3-benzothiazol-2-ylmethoxymethyl)cyclopentyl]methanamine
SMILESNCC1CCCC1COCc1nc2ccccc2s1
InChIInChI=1S/C15H20N2OS/c16-8-11-4-3-5-12(11)9-18-10-15-17-13-6-1-2-7-14(13)19-15/h1-2,6-7,11-12H,3-5,8-10,16H2
InChIKeyMEIOZEDRXQQCQW-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.19
Rot. Bonds5

About [2-(1,3-benzothiazol-2-ylmethoxymethyl)cyclopentyl]methanamine

[2-(1,3-benzothiazol-2-ylmethoxymethyl)cyclopentyl]methanamine (PubChem CID 104631430) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-ylmethoxymethyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-ylmethoxymethyl)cyclopentyl]methanamine
PubChem CID104631430
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name[2-(1,3-benzothiazol-2-ylmethoxymethyl)cyclopentyl]methanamine
SMILESNCC1CCCC1COCc1nc2ccccc2s1
InChIInChI=1S/C15H20N2OS/c16-8-11-4-3-5-12(11)9-18-10-15-17-13-6-1-2-7-14(13)19-15/h1-2,6-7,11-12H,3-5,8-10,16H2
InChIKeyMEIOZEDRXQQCQW-UHFFFAOYSA-N
XLogP3.19
TPSA48.14 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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzothiazol-2-ylmethyl cyclobutanecarboxylate
CID 78760113
3-(1,3-benzothiazol-2-ylmethoxy)cyclohexan-1-amine
CID 113435132
2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine
CID 43118643
[2-(1,3-benzothiazol-2-ylmethyl)-4,4-dimethylcyclohexyl]methanamine
CID 81011873
2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
CID 24667090
2-(2-pyrrolidin-3-ylethoxymethyl)-1,3-benzothiazole
CID 114795968
1,3-benzothiazol-2-ylmethyl 3-cyclohexylpropanoate
CID 2397721
1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol
CID 45077749
N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine
CID 107417972
1-[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(1,3-benzothiazol-2-ylmethoxy)ethanone
CID 94486951
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-methylcyclohexyl)acetamide
CID 24537642
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
CID 75445228

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-ylmethoxymethyl)cyclopentyl]methanamine?
The IUPAC name of [2-(1,3-benzothiazol-2-ylmethoxymethyl)cyclopentyl]methanamine (CID 104631430) is [2-(1,3-benzothiazol-2-ylmethoxymethyl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(1,3-benzothiazol-2-ylmethoxymethyl)cyclopentyl]methanamine?
The canonical SMILES for [2-(1,3-benzothiazol-2-ylmethoxymethyl)cyclopentyl]methanamine is NCC1CCCC1COCc1nc2ccccc2s1.
What is the InChIKey of [2-(1,3-benzothiazol-2-ylmethoxymethyl)cyclopentyl]methanamine?
The InChIKey is MEIOZEDRXQQCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c16-8-11-4-3-5-12(11)9-18-10-15-17-13-6-1-2-7-14(13)19-15/h1-2,6-7,11-12H,3-5,8-10,16H2.
What are the key properties of [2-(1,3-benzothiazol-2-ylmethoxymethyl)cyclopentyl]methanamine?
[2-(1,3-benzothiazol-2-ylmethoxymethyl)cyclopentyl]methanamine has a molecular weight of 276.40 g/mol, XLogP of 3.19, 5 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-ylmethoxymethyl)cyclopentyl]methanamine is sourced from PubChem (CID 104631430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).