2-(1,3-benzothiazol-2-yl)guanidine

C8H8N4S — CID 17415

IUPAC2-(1,3-benzothiazol-2-yl)guanidine
SMILESNC(N)=Nc1nc2ccccc2s1
InChIInChI=1S/C8H8N4S/c9-7(10)12-8-11-5-3-1-2-4-6(5)13-8/h1-4H,(H4,9,10,11,12)
InChIKeyQMHWARSFUCGBJK-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.20
Rot. Bonds1

About 2-(1,3-benzothiazol-2-yl)guanidine

2-(1,3-benzothiazol-2-yl)guanidine (PubChem CID 17415) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)guanidine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)guanidine
PubChem CID17415
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name2-(1,3-benzothiazol-2-yl)guanidine
SMILESNC(N)=Nc1nc2ccccc2s1
InChIInChI=1S/C8H8N4S/c9-7(10)12-8-11-5-3-1-2-4-6(5)13-8/h1-4H,(H4,9,10,11,12)
InChIKeyQMHWARSFUCGBJK-UHFFFAOYSA-N
XLogP1.20
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)guanidine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)guanidine (CID 17415) is 2-(1,3-benzothiazol-2-yl)guanidine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)guanidine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)guanidine is NC(N)=Nc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)guanidine?
The InChIKey is QMHWARSFUCGBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c9-7(10)12-8-11-5-3-1-2-4-6(5)13-8/h1-4H,(H4,9,10,11,12).
What are the key properties of 2-(1,3-benzothiazol-2-yl)guanidine?
2-(1,3-benzothiazol-2-yl)guanidine has a molecular weight of 192.25 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)guanidine is sourced from PubChem (CID 17415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).