2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole

C9H9ClN4O2S — CID 106923542

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole
SMILESCOc1nc(Cl)nc(Sc2nc(C)c(C)o2)n1
InChIInChI=1S/C9H9ClN4O2S/c1-4-5(2)16-9(11-4)17-8-13-6(10)12-7(14-8)15-3/h1-3H3
InChIKeyHGFMYUVJZYTSSK-UHFFFAOYSA-N
MW272.72 g/mol
LogP2.29
Rot. Bonds3

About 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 106923542) has the molecular formula C9H9ClN4O2S and a molecular weight of 272.72 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole
PubChem CID106923542
Molecular FormulaC9H9ClN4O2S
Molecular Weight272.72 g/mol
Exact Mass272.01
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole
SMILESCOc1nc(Cl)nc(Sc2nc(C)c(C)o2)n1
InChIInChI=1S/C9H9ClN4O2S/c1-4-5(2)16-9(11-4)17-8-13-6(10)12-7(14-8)15-3/h1-3H3
InChIKeyHGFMYUVJZYTSSK-UHFFFAOYSA-N
XLogP2.29
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.72
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole with MolForge

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Related Compounds

2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine
CID 62858857
2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine
CID 63698168
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
CID 62859542
2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923495
2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923554
2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine
CID 63238267
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-5-carbaldehyde
CID 106926411
4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80892353
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol
CID 107770967
2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine
CID 62858855
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-methoxyaniline
CID 106921652
2-chloro-4-methoxy-6-(3-methylbutylsulfanyl)-1,3,5-triazine
CID 107751314

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole (CID 106923542) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole is COc1nc(Cl)nc(Sc2nc(C)c(C)o2)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is HGFMYUVJZYTSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2S/c1-4-5(2)16-9(11-4)17-8-13-6(10)12-7(14-8)15-3/h1-3H3.
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 272.72 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 106923542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).