(3-amino-1,2,4-triazol-1-yl)-(1,3-thiazol-4-yl)methanone

C6H5N5OS — CID 110485038

IUPAC(3-amino-1,2,4-triazol-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESNc1ncn(C(=O)c2cscn2)n1
InChIInChI=1S/C6H5N5OS/c7-6-8-2-11(10-6)5(12)4-1-13-3-9-4/h1-3H,(H2,7,10)
InChIKeyZEJJHNVWQRLZHY-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.01
Rot. Bonds1

About (3-amino-1,2,4-triazol-1-yl)-(1,3-thiazol-4-yl)methanone

(3-amino-1,2,4-triazol-1-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 110485038) has the molecular formula C6H5N5OS and a molecular weight of 195.21 g/mol. Its IUPAC name is (3-amino-1,2,4-triazol-1-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-1,2,4-triazol-1-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID110485038
Molecular FormulaC6H5N5OS
Molecular Weight195.21 g/mol
Exact Mass195.02
IUPAC Name(3-amino-1,2,4-triazol-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESNc1ncn(C(=O)c2cscn2)n1
InChIInChI=1S/C6H5N5OS/c7-6-8-2-11(10-6)5(12)4-1-13-3-9-4/h1-3H,(H2,7,10)
InChIKeyZEJJHNVWQRLZHY-UHFFFAOYSA-N
XLogP0.01
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-amino-1,2,4-triazol-1-yl)-(1,3-thiazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-amino-1,2,4-triazol-1-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-amino-1,2,4-triazol-1-yl)-(1,3-thiazol-4-yl)methanone (CID 110485038) is (3-amino-1,2,4-triazol-1-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-amino-1,2,4-triazol-1-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-amino-1,2,4-triazol-1-yl)-(1,3-thiazol-4-yl)methanone is Nc1ncn(C(=O)c2cscn2)n1.
What is the InChIKey of (3-amino-1,2,4-triazol-1-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is ZEJJHNVWQRLZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5OS/c7-6-8-2-11(10-6)5(12)4-1-13-3-9-4/h1-3H,(H2,7,10).
What are the key properties of (3-amino-1,2,4-triazol-1-yl)-(1,3-thiazol-4-yl)methanone?
(3-amino-1,2,4-triazol-1-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 195.21 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1,2,4-triazol-1-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 110485038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).