N-(1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C6H6N6OS2 — CID 23820072

IUPACN-(1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1nncs1
InChIInChI=1S/C6H6N6OS2/c13-4(10-6-12-9-3-15-6)1-14-5-7-2-8-11-5/h2-3H,1H2,(H,7,8,11)(H,10,12,13)
InChIKeySBKMJYHFDNJOKD-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.39
Rot. Bonds4

About N-(1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 23820072) has the molecular formula C6H6N6OS2 and a molecular weight of 242.29 g/mol. Its IUPAC name is N-(1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID23820072
Molecular FormulaC6H6N6OS2
Molecular Weight242.29 g/mol
Exact Mass242.00
IUPAC NameN-(1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1nncs1
InChIInChI=1S/C6H6N6OS2/c13-4(10-6-12-9-3-15-6)1-14-5-7-2-8-11-5/h2-3H,1H2,(H,7,8,11)(H,10,12,13)
InChIKeySBKMJYHFDNJOKD-UHFFFAOYSA-N
XLogP0.39
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 23820072) is N-(1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1nncs1.
What is the InChIKey of N-(1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is SBKMJYHFDNJOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6OS2/c13-4(10-6-12-9-3-15-6)1-14-5-7-2-8-11-5/h2-3H,1H2,(H,7,8,11)(H,10,12,13).
What are the key properties of N-(1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 242.29 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 23820072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).