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

C10H12N2S — CID 3147256

IUPAC2-propan-2-yl-1,3-benzothiazol-6-amine
SMILESCC(C)c1nc2ccc(N)cc2s1
InChIInChI=1S/C10H12N2S/c1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,11H2,1-2H3
InChIKeyHWXYBXYFYWOVAS-UHFFFAOYSA-N
MW192.29 g/mol
LogP3.00
Rot. Bonds1

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

2-propan-2-yl-1,3-benzothiazol-6-amine (PubChem CID 3147256) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-propan-2-yl-1,3-benzothiazol-6-amine
PubChem CID3147256
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name2-propan-2-yl-1,3-benzothiazol-6-amine
SMILESCC(C)c1nc2ccc(N)cc2s1
InChIInChI=1S/C10H12N2S/c1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,11H2,1-2H3
InChIKeyHWXYBXYFYWOVAS-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 2-propan-2-yl-1,3-benzothiazol-6-amine?
The IUPAC name of 2-propan-2-yl-1,3-benzothiazol-6-amine (CID 3147256) is 2-propan-2-yl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-propan-2-yl-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-propan-2-yl-1,3-benzothiazol-6-amine is CC(C)c1nc2ccc(N)cc2s1.
What is the InChIKey of 2-propan-2-yl-1,3-benzothiazol-6-amine?
The InChIKey is HWXYBXYFYWOVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,11H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,3-benzothiazol-6-amine?
2-propan-2-yl-1,3-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 2-propan-2-yl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 3147256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).