N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide

C10H15N7OS2 — CID 652927

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide
SMILESCCCn1nnnc1SCC(=O)Nc1nnc(CC)s1
InChIInChI=1S/C10H15N7OS2/c1-3-5-17-10(14-15-16-17)19-6-7(18)11-9-13-12-8(4-2)20-9/h3-6H2,1-2H3,(H,11,13,18)
InChIKeyRLHJGSAVXKIGPJ-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.23
Rot. Bonds7

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide (PubChem CID 652927) has the molecular formula C10H15N7OS2 and a molecular weight of 313.41 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide
PubChem CID652927
Molecular FormulaC10H15N7OS2
Molecular Weight313.41 g/mol
Exact Mass313.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide
SMILESCCCn1nnnc1SCC(=O)Nc1nnc(CC)s1
InChIInChI=1S/C10H15N7OS2/c1-3-5-17-10(14-15-16-17)19-6-7(18)11-9-13-12-8(4-2)20-9/h3-6H2,1-2H3,(H,11,13,18)
InChIKeyRLHJGSAVXKIGPJ-UHFFFAOYSA-N
XLogP1.23
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide 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 N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide (CID 652927) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide is CCCn1nnnc1SCC(=O)Nc1nnc(CC)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is RLHJGSAVXKIGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7OS2/c1-3-5-17-10(14-15-16-17)19-6-7(18)11-9-13-12-8(4-2)20-9/h3-6H2,1-2H3,(H,11,13,18).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 313.41 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 652927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).