3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine

C14H20N2S — CID 79142621

IUPAC3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine
SMILESCc1ccc2nc(CCC(C)CCN)sc2c1
InChIInChI=1S/C14H20N2S/c1-10(7-8-15)4-6-14-16-12-5-3-11(2)9-13(12)17-14/h3,5,9-10H,4,6-8,15H2,1-2H3
InChIKeyYNHSBQWLKLDWMI-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.52
Rot. Bonds5

About 3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine

3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine (PubChem CID 79142621) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine
PubChem CID79142621
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine
SMILESCc1ccc2nc(CCC(C)CCN)sc2c1
InChIInChI=1S/C14H20N2S/c1-10(7-8-15)4-6-14-16-12-5-3-11(2)9-13(12)17-14/h3,5,9-10H,4,6-8,15H2,1-2H3
InChIKeyYNHSBQWLKLDWMI-UHFFFAOYSA-N
XLogP3.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine?
The IUPAC name of 3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine (CID 79142621) is 3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine.
What is the SMILES notation for 3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine?
The canonical SMILES for 3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine is Cc1ccc2nc(CCC(C)CCN)sc2c1.
What is the InChIKey of 3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine?
The InChIKey is YNHSBQWLKLDWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-10(7-8-15)4-6-14-16-12-5-3-11(2)9-13(12)17-14/h3,5,9-10H,4,6-8,15H2,1-2H3.
What are the key properties of 3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine?
3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine has a molecular weight of 248.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine is sourced from PubChem (CID 79142621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).