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

C6H2ClFN4S2 — CID 79075595

IUPAC2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3,4-thiadiazole
SMILESFc1cnc(Cl)nc1Sc1nncs1
InChIInChI=1S/C6H2ClFN4S2/c7-5-9-1-3(8)4(11-5)14-6-12-10-2-13-6/h1-2H
InChIKeyDGOKMABLMAWQLK-UHFFFAOYSA-N
MW248.70 g/mol
LogP2.27
Rot. Bonds2

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

2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3,4-thiadiazole (PubChem CID 79075595) has the molecular formula C6H2ClFN4S2 and a molecular weight of 248.70 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3,4-thiadiazole
PubChem CID79075595
Molecular FormulaC6H2ClFN4S2
Molecular Weight248.70 g/mol
Exact Mass247.94
IUPAC Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3,4-thiadiazole
SMILESFc1cnc(Cl)nc1Sc1nncs1
InChIInChI=1S/C6H2ClFN4S2/c7-5-9-1-3(8)4(11-5)14-6-12-10-2-13-6/h1-2H
InChIKeyDGOKMABLMAWQLK-UHFFFAOYSA-N
XLogP2.27
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.70
LogP ≤ 52.27
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-1,3,4-thiadiazole?
The IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3,4-thiadiazole (CID 79075595) is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3,4-thiadiazole is Fc1cnc(Cl)nc1Sc1nncs1.
What is the InChIKey of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3,4-thiadiazole?
The InChIKey is DGOKMABLMAWQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClFN4S2/c7-5-9-1-3(8)4(11-5)14-6-12-10-2-13-6/h1-2H.
What are the key properties of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3,4-thiadiazole?
2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3,4-thiadiazole has a molecular weight of 248.70 g/mol, XLogP of 2.27, 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-1,3,4-thiadiazole is sourced from PubChem (CID 79075595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).