2,3,3a,7a-tetrahydro-1,3-benzothiazol-4-amine

C7H10N2S — CID 70245096

IUPAC2,3,3a,7a-tetrahydro-1,3-benzothiazol-4-amine
SMILESNC1=CC=CC2SCNC12
InChIInChI=1S/C7H10N2S/c8-5-2-1-3-6-7(5)9-4-10-6/h1-3,6-7,9H,4,8H2
InChIKeyZQGLKBRQQAJRGO-UHFFFAOYSA-N
MW154.24 g/mol
LogP0.43
Rot. Bonds

About 2,3,3a,7a-tetrahydro-1,3-benzothiazol-4-amine

2,3,3a,7a-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 70245096) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2,3,3a,7a-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID70245096
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name2,3,3a,7a-tetrahydro-1,3-benzothiazol-4-amine
SMILESNC1=CC=CC2SCNC12
InChIInChI=1S/C7H10N2S/c8-5-2-1-3-6-7(5)9-4-10-6/h1-3,6-7,9H,4,8H2
InChIKeyZQGLKBRQQAJRGO-UHFFFAOYSA-N
XLogP0.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,7a-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2,3,3a,7a-tetrahydro-1,3-benzothiazol-4-amine (CID 70245096) is 2,3,3a,7a-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2,3,3a,7a-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2,3,3a,7a-tetrahydro-1,3-benzothiazol-4-amine is NC1=CC=CC2SCNC12.
What is the InChIKey of 2,3,3a,7a-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is ZQGLKBRQQAJRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c8-5-2-1-3-6-7(5)9-4-10-6/h1-3,6-7,9H,4,8H2.
What are the key properties of 2,3,3a,7a-tetrahydro-1,3-benzothiazol-4-amine?
2,3,3a,7a-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 154.24 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,7a-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 70245096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).