2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C9H13N7OS2 — CID 3169639

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2nnnn2C)s1
InChIInChI=1S/C9H13N7OS2/c1-5(2)7-11-12-8(19-7)10-6(17)4-18-9-13-14-15-16(9)3/h5H,4H2,1-3H3,(H,10,12,17)
InChIKeyDXYDJWRMFQYAOZ-UHFFFAOYSA-N
MW299.39 g/mol
LogP0.92
Rot. Bonds5

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3169639) has the molecular formula C9H13N7OS2 and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3169639
Molecular FormulaC9H13N7OS2
Molecular Weight299.39 g/mol
Exact Mass299.06
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSc2nnnn2C)s1
InChIInChI=1S/C9H13N7OS2/c1-5(2)7-11-12-8(19-7)10-6(17)4-18-9-13-14-15-16(9)3/h5H,4H2,1-3H3,(H,10,12,17)
InChIKeyDXYDJWRMFQYAOZ-UHFFFAOYSA-N
XLogP0.92
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide 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-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 3169639) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CSc2nnnn2C)s1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is DXYDJWRMFQYAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7OS2/c1-5(2)7-11-12-8(19-7)10-6(17)4-18-9-13-14-15-16(9)3/h5H,4H2,1-3H3,(H,10,12,17).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 299.39 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3169639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).