[1-(4-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine

C14H18N2S — CID 113309244

IUPAC[1-(4-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine
SMILESCc1cccc2sc(C3(CN)CCCC3)nc12
InChIInChI=1S/C14H18N2S/c1-10-5-4-6-11-12(10)16-13(17-11)14(9-15)7-2-3-8-14/h4-6H,2-3,7-9,15H2,1H3
InChIKeyCLSBVSLQPTYXTB-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.38
Rot. Bonds2

About [1-(4-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine

[1-(4-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine (PubChem CID 113309244) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is [1-(4-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine
PubChem CID113309244
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name[1-(4-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine
SMILESCc1cccc2sc(C3(CN)CCCC3)nc12
InChIInChI=1S/C14H18N2S/c1-10-5-4-6-11-12(10)16-13(17-11)14(9-15)7-2-3-8-14/h4-6H,2-3,7-9,15H2,1H3
InChIKeyCLSBVSLQPTYXTB-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-(4-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(4-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine (CID 113309244) is [1-(4-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine is Cc1cccc2sc(C3(CN)CCCC3)nc12.
What is the InChIKey of [1-(4-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine?
The InChIKey is CLSBVSLQPTYXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-5-4-6-11-12(10)16-13(17-11)14(9-15)7-2-3-8-14/h4-6H,2-3,7-9,15H2,1H3.
What are the key properties of [1-(4-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine?
[1-(4-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-(4-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine is sourced from PubChem (CID 113309244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).