2-(difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole

C4H4F2N2S2 — CID 14555343

IUPAC2-(difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(C(F)F)s1
InChIInChI=1S/C4H4F2N2S2/c1-9-4-8-7-3(10-4)2(5)6/h2H,1H3
InChIKeyKXAURNZGPDRECZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.20
Rot. Bonds2

About 2-(difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole

2-(difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole (PubChem CID 14555343) has the molecular formula C4H4F2N2S2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole
PubChem CID14555343
Molecular FormulaC4H4F2N2S2
Molecular Weight182.22 g/mol
Exact Mass181.98
IUPAC Name2-(difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(C(F)F)s1
InChIInChI=1S/C4H4F2N2S2/c1-9-4-8-7-3(10-4)2(5)6/h2H,1H3
InChIKeyKXAURNZGPDRECZ-UHFFFAOYSA-N
XLogP2.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-(difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole (CID 14555343) is 2-(difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole is CSc1nnc(C(F)F)s1.
What is the InChIKey of 2-(difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The InChIKey is KXAURNZGPDRECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2S2/c1-9-4-8-7-3(10-4)2(5)6/h2H,1H3.
What are the key properties of 2-(difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole?
2-(difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole has a molecular weight of 182.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 14555343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).