2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide

C8H8N6OS — CID 660581

IUPAC2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(CSc1ncccn1)Nn1cnnc1
InChIInChI=1S/C8H8N6OS/c15-7(13-14-5-11-12-6-14)4-16-8-9-2-1-3-10-8/h1-3,5-6H,4H2,(H,13,15)
InChIKeyXUHCTAOGGFFJEK-UHFFFAOYSA-N
MW236.26 g/mol
LogP-0.07
Rot. Bonds4

About 2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide

2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 660581) has the molecular formula C8H8N6OS and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID660581
Molecular FormulaC8H8N6OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC Name2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(CSc1ncccn1)Nn1cnnc1
InChIInChI=1S/C8H8N6OS/c15-7(13-14-5-11-12-6-14)4-16-8-9-2-1-3-10-8/h1-3,5-6H,4H2,(H,13,15)
InChIKeyXUHCTAOGGFFJEK-UHFFFAOYSA-N
XLogP-0.07
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(Pyrimidin-2-ylsulfanyl)-acetic acid cycloheptylidene-hydrazide
CID 694126
N,N-diethyl-2-[[4-methyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1429068
2-[(5-butyl-4H-1,2,4-triazol-3-yl)thio]-N-2-pyrimidinylacetamide
CID 2171386
Acetic acid, ((7-amino-(1,2,4)triazolo(1,5-c)pyrimidin-5-yl)thio)-, hydrazide
CID 1491867
N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-2-(pyrimidin-2-ylthio)acetamide
CID 2928978
N-pyrimidin-2-yl-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6459582
1-(3-((4-methyl-4H-1,2,4-triazol-3-yl)thio)propyl)-3-(pyrimidin-2-yl)urea
CID 6852101
N-(ethylcarbamoyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 17411298
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 709550
Cambridge id 7126499
CID 1075880
2-((4-methyl-5-((pyrimidin-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CID 2145074
3-([1,2,4]Triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 41490939

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide (CID 660581) is 2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide is O=C(CSc1ncccn1)Nn1cnnc1.
What is the InChIKey of 2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is XUHCTAOGGFFJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6OS/c15-7(13-14-5-11-12-6-14)4-16-8-9-2-1-3-10-8/h1-3,5-6H,4H2,(H,13,15).
What are the key properties of 2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 236.26 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 660581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).