6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one

C8H6ClN3O2S — CID 107362492

IUPAC6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one
SMILESCOc1nc(-c2sccc2Cl)[nH]c(=O)n1
InChIInChI=1S/C8H6ClN3O2S/c1-14-8-11-6(10-7(13)12-8)5-4(9)2-3-15-5/h2-3H,1H3,(H,10,11,12,13)
InChIKeyQFTKZUKOIQUSMG-UHFFFAOYSA-N
MW243.67 g/mol
LogP1.56
Rot. Bonds2

About 6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one

6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one (PubChem CID 107362492) has the molecular formula C8H6ClN3O2S and a molecular weight of 243.67 g/mol. Its IUPAC name is 6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one
PubChem CID107362492
Molecular FormulaC8H6ClN3O2S
Molecular Weight243.67 g/mol
Exact Mass242.99
IUPAC Name6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one
SMILESCOc1nc(-c2sccc2Cl)[nH]c(=O)n1
InChIInChI=1S/C8H6ClN3O2S/c1-14-8-11-6(10-7(13)12-8)5-4(9)2-3-15-5/h2-3H,1H3,(H,10,11,12,13)
InChIKeyQFTKZUKOIQUSMG-UHFFFAOYSA-N
XLogP1.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106517961
6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106520374
methyl 3-(4-methoxy-6-oxo-1H-1,3,5-triazin-2-yl)-4-methylthiophene-2-carboxylate
CID 106522778
4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one
CID 106513986
4-methoxy-6-(3-methylphenyl)-1H-1,3,5-triazin-2-one
CID 106515333
2-(3-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridine
CID 80642200
4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one
CID 106515838
4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one
CID 106514778
2-[bromo-(4-methoxyphenyl)methyl]-3-chlorothiophene
CID 80531532
6-(3-chlorothiophen-2-yl)-5-methoxy-1H-pyrimidine-4-thione
CID 107362481
[2-(3-chlorothiophen-2-yl)-1H-imidazol-5-yl]methanol
CID 130778852
4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one
CID 137099069

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one (CID 107362492) is 6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one is COc1nc(-c2sccc2Cl)[nH]c(=O)n1.
What is the InChIKey of 6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one?
The InChIKey is QFTKZUKOIQUSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2S/c1-14-8-11-6(10-7(13)12-8)5-4(9)2-3-15-5/h2-3H,1H3,(H,10,11,12,13).
What are the key properties of 6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one?
6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one has a molecular weight of 243.67 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorothiophen-2-yl)-4-methoxy-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 107362492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).