5-(2-methylpropylsulfanyl)-1,3-benzothiazol-4-amine

C11H14N2S2 — CID 43451605

IUPAC5-(2-methylpropylsulfanyl)-1,3-benzothiazol-4-amine
SMILESCC(C)CSc1ccc2scnc2c1N
InChIInChI=1S/C11H14N2S2/c1-7(2)5-14-8-3-4-9-11(10(8)12)13-6-15-9/h3-4,6-7H,5,12H2,1-2H3
InChIKeyJWMUSJVPRUURMR-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.63
Rot. Bonds3

About 5-(2-methylpropylsulfanyl)-1,3-benzothiazol-4-amine

5-(2-methylpropylsulfanyl)-1,3-benzothiazol-4-amine (PubChem CID 43451605) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 5-(2-methylpropylsulfanyl)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-(2-methylpropylsulfanyl)-1,3-benzothiazol-4-amine
PubChem CID43451605
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC Name5-(2-methylpropylsulfanyl)-1,3-benzothiazol-4-amine
SMILESCC(C)CSc1ccc2scnc2c1N
InChIInChI=1S/C11H14N2S2/c1-7(2)5-14-8-3-4-9-11(10(8)12)13-6-15-9/h3-4,6-7H,5,12H2,1-2H3
InChIKeyJWMUSJVPRUURMR-UHFFFAOYSA-N
XLogP3.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methylpropylsulfanyl)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-(2-methylpropylsulfanyl)-1,3-benzothiazol-4-amine (CID 43451605) is 5-(2-methylpropylsulfanyl)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-(2-methylpropylsulfanyl)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-(2-methylpropylsulfanyl)-1,3-benzothiazol-4-amine is CC(C)CSc1ccc2scnc2c1N.
What is the InChIKey of 5-(2-methylpropylsulfanyl)-1,3-benzothiazol-4-amine?
The InChIKey is JWMUSJVPRUURMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-7(2)5-14-8-3-4-9-11(10(8)12)13-6-15-9/h3-4,6-7H,5,12H2,1-2H3.
What are the key properties of 5-(2-methylpropylsulfanyl)-1,3-benzothiazol-4-amine?
5-(2-methylpropylsulfanyl)-1,3-benzothiazol-4-amine has a molecular weight of 238.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylsulfanyl)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 43451605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).