2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole

C7H5ClN4OS — CID 62343482

IUPAC2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Sc2ccnc(Cl)n2)o1
InChIInChI=1S/C7H5ClN4OS/c1-4-11-12-7(13-4)14-5-2-3-9-6(8)10-5/h2-3H,1H3
InChIKeyLUZQFILAUVSJSZ-UHFFFAOYSA-N
MW228.66 g/mol
LogP1.97
Rot. Bonds2

About 2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole

2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole (PubChem CID 62343482) has the molecular formula C7H5ClN4OS and a molecular weight of 228.66 g/mol. Its IUPAC name is 2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole
PubChem CID62343482
Molecular FormulaC7H5ClN4OS
Molecular Weight228.66 g/mol
Exact Mass227.99
IUPAC Name2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Sc2ccnc(Cl)n2)o1
InChIInChI=1S/C7H5ClN4OS/c1-4-11-12-7(13-4)14-5-2-3-9-6(8)10-5/h2-3H,1H3
InChIKeyLUZQFILAUVSJSZ-UHFFFAOYSA-N
XLogP1.97
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole (CID 62343482) is 2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole is Cc1nnc(Sc2ccnc(Cl)n2)o1.
What is the InChIKey of 2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole?
The InChIKey is LUZQFILAUVSJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4OS/c1-4-11-12-7(13-4)14-5-2-3-9-6(8)10-5/h2-3H,1H3.
What are the key properties of 2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole?
2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole has a molecular weight of 228.66 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 62343482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).