5-propan-2-yl-1,2-benzothiazol-6-amine

C10H12N2S — CID 155036239

IUPAC5-propan-2-yl-1,2-benzothiazol-6-amine
SMILESCC(C)c1cc2cnsc2cc1N
InChIInChI=1S/C10H12N2S/c1-6(2)8-3-7-5-12-13-10(7)4-9(8)11/h3-6H,11H2,1-2H3
InChIKeyWJFMWMYHLWEPOV-UHFFFAOYSA-N
MW192.29 g/mol
LogP3.00
Rot. Bonds1

About 5-propan-2-yl-1,2-benzothiazol-6-amine

5-propan-2-yl-1,2-benzothiazol-6-amine (PubChem CID 155036239) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 5-propan-2-yl-1,2-benzothiazol-6-amine.

Molecular Properties

Compound Name5-propan-2-yl-1,2-benzothiazol-6-amine
PubChem CID155036239
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name5-propan-2-yl-1,2-benzothiazol-6-amine
SMILESCC(C)c1cc2cnsc2cc1N
InChIInChI=1S/C10H12N2S/c1-6(2)8-3-7-5-12-13-10(7)4-9(8)11/h3-6H,11H2,1-2H3
InChIKeyWJFMWMYHLWEPOV-UHFFFAOYSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,2-benzothiazol-6-amine?
The IUPAC name of 5-propan-2-yl-1,2-benzothiazol-6-amine (CID 155036239) is 5-propan-2-yl-1,2-benzothiazol-6-amine.
What is the SMILES notation for 5-propan-2-yl-1,2-benzothiazol-6-amine?
The canonical SMILES for 5-propan-2-yl-1,2-benzothiazol-6-amine is CC(C)c1cc2cnsc2cc1N.
What is the InChIKey of 5-propan-2-yl-1,2-benzothiazol-6-amine?
The InChIKey is WJFMWMYHLWEPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-6(2)8-3-7-5-12-13-10(7)4-9(8)11/h3-6H,11H2,1-2H3.
What are the key properties of 5-propan-2-yl-1,2-benzothiazol-6-amine?
5-propan-2-yl-1,2-benzothiazol-6-amine has a molecular weight of 192.29 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,2-benzothiazol-6-amine is sourced from PubChem (CID 155036239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).