N-pyrimidin-2-yl-2-(2H-triazol-4-ylsulfanyl)acetamide

C8H8N6OS — CID 6459582

IUPACN-pyrimidin-2-yl-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESO=C(CSc1cn[nH]n1)Nc1ncccn1
InChIInChI=1S/C8H8N6OS/c15-6(5-16-7-4-11-14-13-7)12-8-9-2-1-3-10-8/h1-4H,5H2,(H,11,13,14)(H,9,10,12,15)
InChIKeyWRHFOLQSCPFYOP-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.33
Rot. Bonds4

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

N-pyrimidin-2-yl-2-(2H-triazol-4-ylsulfanyl)acetamide (PubChem CID 6459582) has the molecular formula C8H8N6OS and a molecular weight of 236.26 g/mol. Its IUPAC name is N-pyrimidin-2-yl-2-(2H-triazol-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-pyrimidin-2-yl-2-(2H-triazol-4-ylsulfanyl)acetamide
PubChem CID6459582
Molecular FormulaC8H8N6OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC NameN-pyrimidin-2-yl-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESO=C(CSc1cn[nH]n1)Nc1ncccn1
InChIInChI=1S/C8H8N6OS/c15-6(5-16-7-4-11-14-13-7)12-8-9-2-1-3-10-8/h1-4H,5H2,(H,11,13,14)(H,9,10,12,15)
InChIKeyWRHFOLQSCPFYOP-UHFFFAOYSA-N
XLogP0.33
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-pyrimidinylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 660581
2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide
CID 1240893
N-[2-(1H-1,2,3-triazol-5-ylthio)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72890810
N-(pyrimidin-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 684399
2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide
CID 1301816
1,4-dihydroimidazol-5-one;pyrimidine;2H-triazole
CID 159582593
2-(1-methylimidazol-2-yl)sulfanyl-N-pyrimidin-2-ylpropanamide
CID 47138059
2-[1-(2-aminoethyl)tetrazol-5-yl]sulfanyl-N-pyrimidin-2-ylacetamide
CID 65940410
2-[4-(2-pyrimidinyl)-1-piperazinyl]-N-[2-(1H-1,2,3-triazol-5-ylthio)ethyl]acetamide
CID 72853811
2-(ethylamino)-N-[2-(1H-1,2,3-triazol-5-ylthio)ethyl]-5-pyrimidinecarboxamide
CID 72893714
2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylpropanamide
CID 75657014
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(2H-triazol-4-ylsulfanyl)ethanone
CID 86778980

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-2-(2H-triazol-4-ylsulfanyl)acetamide?
The IUPAC name of N-pyrimidin-2-yl-2-(2H-triazol-4-ylsulfanyl)acetamide (CID 6459582) is N-pyrimidin-2-yl-2-(2H-triazol-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-pyrimidin-2-yl-2-(2H-triazol-4-ylsulfanyl)acetamide?
The canonical SMILES for N-pyrimidin-2-yl-2-(2H-triazol-4-ylsulfanyl)acetamide is O=C(CSc1cn[nH]n1)Nc1ncccn1.
What is the InChIKey of N-pyrimidin-2-yl-2-(2H-triazol-4-ylsulfanyl)acetamide?
The InChIKey is WRHFOLQSCPFYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6OS/c15-6(5-16-7-4-11-14-13-7)12-8-9-2-1-3-10-8/h1-4H,5H2,(H,11,13,14)(H,9,10,12,15).
What are the key properties of N-pyrimidin-2-yl-2-(2H-triazol-4-ylsulfanyl)acetamide?
N-pyrimidin-2-yl-2-(2H-triazol-4-ylsulfanyl)acetamide has a molecular weight of 236.26 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-2-(2H-triazol-4-ylsulfanyl)acetamide is sourced from PubChem (CID 6459582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).