N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine

C10H8N4SSe — CID 60690748

IUPACN-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine
SMILESc1cc(NCc2cscn2)c2n[se]nc2c1
InChIInChI=1S/C10H8N4SSe/c1-2-8(10-9(3-1)13-16-14-10)11-4-7-5-15-6-12-7/h1-3,5-6,11H,4H2
InChIKeyMWJMECVFHWTSMM-UHFFFAOYSA-N
MW295.23 g/mol
LogP1.76
Rot. Bonds3

About N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine

N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine (PubChem CID 60690748) has the molecular formula C10H8N4SSe and a molecular weight of 295.23 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine
PubChem CID60690748
Molecular FormulaC10H8N4SSe
Molecular Weight295.23 g/mol
Exact Mass295.96
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine
SMILESc1cc(NCc2cscn2)c2n[se]nc2c1
InChIInChI=1S/C10H8N4SSe/c1-2-8(10-9(3-1)13-16-14-10)11-4-7-5-15-6-12-7/h1-3,5-6,11H,4H2
InChIKeyMWJMECVFHWTSMM-UHFFFAOYSA-N
XLogP1.76
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine (CID 60690748) is N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine is c1cc(NCc2cscn2)c2n[se]nc2c1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine?
The InChIKey is MWJMECVFHWTSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4SSe/c1-2-8(10-9(3-1)13-16-14-10)11-4-7-5-15-6-12-7/h1-3,5-6,11H,4H2.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine?
N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine has a molecular weight of 295.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine is sourced from PubChem (CID 60690748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).