2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C9H13N7OS2 — CID 3762721

IUPAC2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nnnn2CC)s1
InChIInChI=1S/C9H13N7OS2/c1-3-7-11-12-8(19-7)10-6(17)5-18-9-13-14-15-16(9)4-2/h3-5H2,1-2H3,(H,10,12,17)
InChIKeyJKZNIBMGHJKABZ-UHFFFAOYSA-N
MW299.39 g/mol
LogP0.84
Rot. Bonds6

About 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3762721) has the molecular formula C9H13N7OS2 and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3762721
Molecular FormulaC9H13N7OS2
Molecular Weight299.39 g/mol
Exact Mass299.06
IUPAC Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nnnn2CC)s1
InChIInChI=1S/C9H13N7OS2/c1-3-7-11-12-8(19-7)10-6(17)5-18-9-13-14-15-16(9)4-2/h3-5H2,1-2H3,(H,10,12,17)
InChIKeyJKZNIBMGHJKABZ-UHFFFAOYSA-N
XLogP0.84
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3762721) is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CSc2nnnn2CC)s1.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is JKZNIBMGHJKABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7OS2/c1-3-7-11-12-8(19-7)10-6(17)5-18-9-13-14-15-16(9)4-2/h3-5H2,1-2H3,(H,10,12,17).
What are the key properties of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 299.39 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3762721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).