2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide

C13H12N6OS2 — CID 2922049

IUPAC2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C13H12N6OS2/c1-9(11(20)15-12-14-7-8-21-12)22-13-16-17-18-19(13)10-5-3-2-4-6-10/h2-9H,1H3,(H,14,15,20)
InChIKeyPWEBASODUOHOCA-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.24
Rot. Bonds5

About 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide

2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 2922049) has the molecular formula C13H12N6OS2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID2922049
Molecular FormulaC13H12N6OS2
Molecular Weight332.41 g/mol
Exact Mass332.05
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C13H12N6OS2/c1-9(11(20)15-12-14-7-8-21-12)22-13-16-17-18-19(13)10-5-3-2-4-6-10/h2-9H,1H3,(H,14,15,20)
InChIKeyPWEBASODUOHOCA-UHFFFAOYSA-N
XLogP2.24
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide 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 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide (CID 2922049) is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide is CC(Sc1nnnn1-c1ccccc1)C(=O)Nc1nccs1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PWEBASODUOHOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS2/c1-9(11(20)15-12-14-7-8-21-12)22-13-16-17-18-19(13)10-5-3-2-4-6-10/h2-9H,1H3,(H,14,15,20).
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 332.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2922049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).