N-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide

C10H8N6OS2 — CID 1458096

IUPACN-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
SMILESO=C(CSc1nnc2ncccn12)Nc1nccs1
InChIInChI=1S/C10H8N6OS2/c17-7(13-9-12-3-5-18-9)6-19-10-15-14-8-11-2-1-4-16(8)10/h1-5H,6H2,(H,12,13,17)
InChIKeyOTMFVKQMHOLGEM-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.31
Rot. Bonds4

About N-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide

N-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide (PubChem CID 1458096) has the molecular formula C10H8N6OS2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
PubChem CID1458096
Molecular FormulaC10H8N6OS2
Molecular Weight292.35 g/mol
Exact Mass292.02
IUPAC NameN-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
SMILESO=C(CSc1nnc2ncccn12)Nc1nccs1
InChIInChI=1S/C10H8N6OS2/c17-7(13-9-12-3-5-18-9)6-19-10-15-14-8-11-2-1-4-16(8)10/h1-5H,6H2,(H,12,13,17)
InChIKeyOTMFVKQMHOLGEM-UHFFFAOYSA-N
XLogP1.31
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide (CID 1458096) is N-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide is O=C(CSc1nnc2ncccn12)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
The InChIKey is OTMFVKQMHOLGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6OS2/c17-7(13-9-12-3-5-18-9)6-19-10-15-14-8-11-2-1-4-16(8)10/h1-5H,6H2,(H,12,13,17).
What are the key properties of N-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
N-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide has a molecular weight of 292.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 1458096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).