2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine

C10H12N2OS2 — CID 61367097

IUPAC2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine
SMILESCC(C)S(=O)c1nc2ccc(N)cc2s1
InChIInChI=1S/C10H12N2OS2/c1-6(2)15(13)10-12-8-4-3-7(11)5-9(8)14-10/h3-6H,11H2,1-2H3
InChIKeyPYJHAICBOJRLBN-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.39
Rot. Bonds2

About 2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine

2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine (PubChem CID 61367097) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine
PubChem CID61367097
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine
SMILESCC(C)S(=O)c1nc2ccc(N)cc2s1
InChIInChI=1S/C10H12N2OS2/c1-6(2)15(13)10-12-8-4-3-7(11)5-9(8)14-10/h3-6H,11H2,1-2H3
InChIKeyPYJHAICBOJRLBN-UHFFFAOYSA-N
XLogP2.39
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N,N-dimethylpropanamide
CID 61369390
2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N-tert-butylpropanamide
CID 61369392
2-[2-(2-methylpropoxy)ethylsulfinyl]-1,3-benzothiazol-6-amine
CID 106455863
2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine
CID 61368635
2-hexylsulfinyl-1,3-benzothiazol-6-amine
CID 61367485
2-(2-ethoxyethylsulfinyl)-1,3-benzothiazol-6-amine
CID 61367872
2-(3,3,3-trifluoropropylsulfinyl)-1,3-benzothiazol-6-amine
CID 64567997
2-[(2,6-difluorophenyl)methylsulfinyl]-1,3-benzothiazol-6-amine
CID 114933049
2-[(2-chloro-4-methylphenyl)methylsulfinyl]-1,3-benzothiazol-6-amine
CID 106869139
2-[3-(2-methoxyethoxy)propylsulfinyl]-1,3-benzothiazol-6-amine
CID 103411788
2-(2-phenylsulfanylethylsulfinyl)-1,3-benzothiazol-6-amine
CID 79227632
2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N-butylacetamide
CID 61486047

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine?
The IUPAC name of 2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine (CID 61367097) is 2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine is CC(C)S(=O)c1nc2ccc(N)cc2s1.
What is the InChIKey of 2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine?
The InChIKey is PYJHAICBOJRLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-6(2)15(13)10-12-8-4-3-7(11)5-9(8)14-10/h3-6H,11H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine?
2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine has a molecular weight of 240.35 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 61367097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).