[1-(6-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine

C14H18N2S — CID 115433690

IUPAC[1-(6-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine
SMILESCc1ccc2nc(C3(CN)CCCC3)sc2c1
InChIInChI=1S/C14H18N2S/c1-10-4-5-11-12(8-10)17-13(16-11)14(9-15)6-2-3-7-14/h4-5,8H,2-3,6-7,9,15H2,1H3
InChIKeyCFTUVCWUWKCWDQ-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.38
Rot. Bonds2

About [1-(6-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine

[1-(6-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine (PubChem CID 115433690) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is [1-(6-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(6-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine
PubChem CID115433690
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name[1-(6-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine
SMILESCc1ccc2nc(C3(CN)CCCC3)sc2c1
InChIInChI=1S/C14H18N2S/c1-10-4-5-11-12(8-10)17-13(16-11)14(9-15)6-2-3-7-14/h4-5,8H,2-3,6-7,9,15H2,1H3
InChIKeyCFTUVCWUWKCWDQ-UHFFFAOYSA-N
XLogP3.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(6-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(6-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine (CID 115433690) is [1-(6-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(6-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(6-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine is Cc1ccc2nc(C3(CN)CCCC3)sc2c1.
What is the InChIKey of [1-(6-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine?
The InChIKey is CFTUVCWUWKCWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-4-5-11-12(8-10)17-13(16-11)14(9-15)6-2-3-7-14/h4-5,8H,2-3,6-7,9,15H2,1H3.
What are the key properties of [1-(6-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine?
[1-(6-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine has a molecular weight of 246.38 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine is sourced from PubChem (CID 115433690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).