4-methyl-1-thiophen-2-yl-1,3,5-triazin-2-one

C8H7N3OS — CID 122444728

IUPAC4-methyl-1-thiophen-2-yl-1,3,5-triazin-2-one
SMILESCc1ncn(-c2cccs2)c(=O)n1
InChIInChI=1S/C8H7N3OS/c1-6-9-5-11(8(12)10-6)7-3-2-4-13-7/h2-5H,1H3
InChIKeyFDFRITTUPDUXAF-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.00
Rot. Bonds1

About 4-methyl-1-thiophen-2-yl-1,3,5-triazin-2-one

4-methyl-1-thiophen-2-yl-1,3,5-triazin-2-one (PubChem CID 122444728) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 4-methyl-1-thiophen-2-yl-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-methyl-1-thiophen-2-yl-1,3,5-triazin-2-one
PubChem CID122444728
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name4-methyl-1-thiophen-2-yl-1,3,5-triazin-2-one
SMILESCc1ncn(-c2cccs2)c(=O)n1
InChIInChI=1S/C8H7N3OS/c1-6-9-5-11(8(12)10-6)7-3-2-4-13-7/h2-5H,1H3
InChIKeyFDFRITTUPDUXAF-UHFFFAOYSA-N
XLogP1.00
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-1-thiophen-2-ylpyrimidin-2-one
CID 17875442
3-(Diaminomethylidene)-1,2-dimethyl-1-thiophen-2-ylguanidine
CID 89505693
1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-2-ylguanidine
CID 89505732
4-N,6-N,6-N,2,5-pentamethyl-4-N-thiophen-2-yl-2H-1,3,5-triazine-4,6-diamine
CID 89507085
1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-2-ylguanidine
CID 123989659
4-[methyl(thiophen-2-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143516

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-thiophen-2-yl-1,3,5-triazin-2-one?
The IUPAC name of 4-methyl-1-thiophen-2-yl-1,3,5-triazin-2-one (CID 122444728) is 4-methyl-1-thiophen-2-yl-1,3,5-triazin-2-one.
What is the SMILES notation for 4-methyl-1-thiophen-2-yl-1,3,5-triazin-2-one?
The canonical SMILES for 4-methyl-1-thiophen-2-yl-1,3,5-triazin-2-one is Cc1ncn(-c2cccs2)c(=O)n1.
What is the InChIKey of 4-methyl-1-thiophen-2-yl-1,3,5-triazin-2-one?
The InChIKey is FDFRITTUPDUXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c1-6-9-5-11(8(12)10-6)7-3-2-4-13-7/h2-5H,1H3.
What are the key properties of 4-methyl-1-thiophen-2-yl-1,3,5-triazin-2-one?
4-methyl-1-thiophen-2-yl-1,3,5-triazin-2-one has a molecular weight of 193.23 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-thiophen-2-yl-1,3,5-triazin-2-one is sourced from PubChem (CID 122444728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).