1,3-dihydro-2,1-benzothiazol-5-amine

C7H8N2S — CID 141064603

IUPAC1,3-dihydro-2,1-benzothiazol-5-amine
SMILESNc1ccc2c(c1)CSN2
InChIInChI=1S/C7H8N2S/c8-6-1-2-7-5(3-6)4-10-9-7/h1-3,9H,4,8H2
InChIKeyZAIDHIPIKBIPJD-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.84
Rot. Bonds

About 1,3-dihydro-2,1-benzothiazol-5-amine

1,3-dihydro-2,1-benzothiazol-5-amine (PubChem CID 141064603) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 1,3-dihydro-2,1-benzothiazol-5-amine.

Molecular Properties

Compound Name1,3-dihydro-2,1-benzothiazol-5-amine
PubChem CID141064603
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name1,3-dihydro-2,1-benzothiazol-5-amine
SMILESNc1ccc2c(c1)CSN2
InChIInChI=1S/C7H8N2S/c8-6-1-2-7-5(3-6)4-10-9-7/h1-3,9H,4,8H2
InChIKeyZAIDHIPIKBIPJD-UHFFFAOYSA-N
XLogP1.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2,1-benzothiazol-5-amine?
The IUPAC name of 1,3-dihydro-2,1-benzothiazol-5-amine (CID 141064603) is 1,3-dihydro-2,1-benzothiazol-5-amine.
What is the SMILES notation for 1,3-dihydro-2,1-benzothiazol-5-amine?
The canonical SMILES for 1,3-dihydro-2,1-benzothiazol-5-amine is Nc1ccc2c(c1)CSN2.
What is the InChIKey of 1,3-dihydro-2,1-benzothiazol-5-amine?
The InChIKey is ZAIDHIPIKBIPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c8-6-1-2-7-5(3-6)4-10-9-7/h1-3,9H,4,8H2.
What are the key properties of 1,3-dihydro-2,1-benzothiazol-5-amine?
1,3-dihydro-2,1-benzothiazol-5-amine has a molecular weight of 152.22 g/mol, XLogP of 1.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2,1-benzothiazol-5-amine is sourced from PubChem (CID 141064603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).