2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C9H11N7OS2 — CID 47136388

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nnnn2C2CC2)s1
InChIInChI=1S/C9H11N7OS2/c1-5-11-12-8(19-5)10-7(17)4-18-9-13-14-15-16(9)6-2-3-6/h6H,2-4H2,1H3,(H,10,12,17)
InChIKeyCSHVAOVBXJQGDX-UHFFFAOYSA-N
MW297.37 g/mol
LogP0.90
Rot. Bonds5

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 47136388) has the molecular formula C9H11N7OS2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID47136388
Molecular FormulaC9H11N7OS2
Molecular Weight297.37 g/mol
Exact Mass297.05
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nnnn2C2CC2)s1
InChIInChI=1S/C9H11N7OS2/c1-5-11-12-8(19-5)10-7(17)4-18-9-13-14-15-16(9)6-2-3-6/h6H,2-4H2,1H3,(H,10,12,17)
InChIKeyCSHVAOVBXJQGDX-UHFFFAOYSA-N
XLogP0.90
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 47136388) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CSc2nnnn2C2CC2)s1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is CSHVAOVBXJQGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7OS2/c1-5-11-12-8(19-5)10-7(17)4-18-9-13-14-15-16(9)6-2-3-6/h6H,2-4H2,1H3,(H,10,12,17).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 297.37 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 47136388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).