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

C6H9FN2S2 — CID 70413401

IUPAC2-(3-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(CCCF)s1
InChIInChI=1S/C6H9FN2S2/c1-10-6-9-8-5(11-6)3-2-4-7/h2-4H2,1H3
InChIKeyAYATTYIKRBUSND-UHFFFAOYSA-N
MW192.28 g/mol
LogP2.16
Rot. Bonds4

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

2-(3-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole (PubChem CID 70413401) has the molecular formula C6H9FN2S2 and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(3-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole
PubChem CID70413401
Molecular FormulaC6H9FN2S2
Molecular Weight192.28 g/mol
Exact Mass192.02
IUPAC Name2-(3-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(CCCF)s1
InChIInChI=1S/C6H9FN2S2/c1-10-6-9-8-5(11-6)3-2-4-7/h2-4H2,1H3
InChIKeyAYATTYIKRBUSND-UHFFFAOYSA-N
XLogP2.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-(3-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole (CID 70413401) is 2-(3-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole is CSc1nnc(CCCF)s1.
What is the InChIKey of 2-(3-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The InChIKey is AYATTYIKRBUSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2S2/c1-10-6-9-8-5(11-6)3-2-4-7/h2-4H2,1H3.
What are the key properties of 2-(3-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole?
2-(3-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole has a molecular weight of 192.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 70413401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).