1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine

C12H16N2OS2 — CID 79512099

IUPAC1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine
SMILESCOc1ccc2nc(C(N)CCSC)sc2c1
InChIInChI=1S/C12H16N2OS2/c1-15-8-3-4-10-11(7-8)17-12(14-10)9(13)5-6-16-2/h3-4,7,9H,5-6,13H2,1-2H3
InChIKeyKIEPYMQTTKZCFW-UHFFFAOYSA-N
MW268.41 g/mol
LogP3.06
Rot. Bonds5

About 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine

1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 79512099) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine
PubChem CID79512099
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC Name1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine
SMILESCOc1ccc2nc(C(N)CCSC)sc2c1
InChIInChI=1S/C12H16N2OS2/c1-15-8-3-4-10-11(7-8)17-12(14-10)9(13)5-6-16-2/h3-4,7,9H,5-6,13H2,1-2H3
InChIKeyKIEPYMQTTKZCFW-UHFFFAOYSA-N
XLogP3.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 18449216
1-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 79148766
1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine
CID 79511944
(6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine
CID 79510887
2-amino-2-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
CID 79518392
(6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol
CID 66584990
CID 158604119
CID 158604119
6-methoxy-2-[(6-methoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 20537765
ethyl 3,4-dihydroxy-4-(6-methoxy-1,3-benzothiazol-2-yl)butanoate
CID 171898169
2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649
6-methoxy-1,3-benzothiazole-2-carboxamide
CID 539282
4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine
CID 113441133

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine (CID 79512099) is 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine is COc1ccc2nc(C(N)CCSC)sc2c1.
What is the InChIKey of 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is KIEPYMQTTKZCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-15-8-3-4-10-11(7-8)17-12(14-10)9(13)5-6-16-2/h3-4,7,9H,5-6,13H2,1-2H3.
What are the key properties of 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine?
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 268.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 79512099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).