2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,2,4-triazol-4-yl)acetamide

C7H9N5OS2 — CID 5149279

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(CSC1=NCCS1)Nn1cnnc1
InChIInChI=1S/C7H9N5OS2/c13-6(11-12-4-9-10-5-12)3-15-7-8-1-2-14-7/h4-5H,1-3H2,(H,11,13)
InChIKeyPOPFQASBNOXEPD-UHFFFAOYSA-N
MW243.32 g/mol
LogP0.18
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,2,4-triazol-4-yl)acetamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 5149279) has the molecular formula C7H9N5OS2 and a molecular weight of 243.32 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID5149279
Molecular FormulaC7H9N5OS2
Molecular Weight243.32 g/mol
Exact Mass243.02
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(CSC1=NCCS1)Nn1cnnc1
InChIInChI=1S/C7H9N5OS2/c13-6(11-12-4-9-10-5-12)3-15-7-8-1-2-14-7/h4-5H,1-3H2,(H,11,13)
InChIKeyPOPFQASBNOXEPD-UHFFFAOYSA-N
XLogP0.18
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,2,4-triazol-4-yl)acetamide (CID 5149279) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,2,4-triazol-4-yl)acetamide is O=C(CSC1=NCCS1)Nn1cnnc1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is POPFQASBNOXEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5OS2/c13-6(11-12-4-9-10-5-12)3-15-7-8-1-2-14-7/h4-5H,1-3H2,(H,11,13).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,2,4-triazol-4-yl)acetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 243.32 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 5149279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).