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

C7H4ClFN4OS — CID 79075708

IUPAC2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Sc2nc(Cl)ncc2F)o1
InChIInChI=1S/C7H4ClFN4OS/c1-3-12-13-7(14-3)15-5-4(9)2-10-6(8)11-5/h2H,1H3
InChIKeyLTSAJBVOXCDSSA-UHFFFAOYSA-N
MW246.65 g/mol
LogP2.11
Rot. Bonds2

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

2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole (PubChem CID 79075708) has the molecular formula C7H4ClFN4OS and a molecular weight of 246.65 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole
PubChem CID79075708
Molecular FormulaC7H4ClFN4OS
Molecular Weight246.65 g/mol
Exact Mass245.98
IUPAC Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Sc2nc(Cl)ncc2F)o1
InChIInChI=1S/C7H4ClFN4OS/c1-3-12-13-7(14-3)15-5-4(9)2-10-6(8)11-5/h2H,1H3
InChIKeyLTSAJBVOXCDSSA-UHFFFAOYSA-N
XLogP2.11
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole (CID 79075708) is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole is Cc1nnc(Sc2nc(Cl)ncc2F)o1.
What is the InChIKey of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole?
The InChIKey is LTSAJBVOXCDSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN4OS/c1-3-12-13-7(14-3)15-5-4(9)2-10-6(8)11-5/h2H,1H3.
What are the key properties of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole?
2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole has a molecular weight of 246.65 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 79075708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).