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

C6H9FN2S2 — CID 70413398

IUPAC2-(1-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCCC(F)c1nnc(SC)s1
InChIInChI=1S/C6H9FN2S2/c1-3-4(7)5-8-9-6(10-2)11-5/h4H,3H2,1-2H3
InChIKeyDPTRLHDZBKJZAC-UHFFFAOYSA-N
MW192.28 g/mol
LogP2.68
Rot. Bonds3

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

2-(1-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole (PubChem CID 70413398) has the molecular formula C6H9FN2S2 and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(1-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole
PubChem CID70413398
Molecular FormulaC6H9FN2S2
Molecular Weight192.28 g/mol
Exact Mass192.02
IUPAC Name2-(1-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCCC(F)c1nnc(SC)s1
InChIInChI=1S/C6H9FN2S2/c1-3-4(7)5-8-9-6(10-2)11-5/h4H,3H2,1-2H3
InChIKeyDPTRLHDZBKJZAC-UHFFFAOYSA-N
XLogP2.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Tert-butyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 13381418
2-Methyl-5-propylsulfanyl-1,3,4-thiadiazole
CID 21138950
2-(Fluoromethylsulfanyl)-5-methyl-1,3,4-thiadiazole
CID 11829773
2-(Fluoromethyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 70369831
2-(3-Fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 70413401
2-Methyl-5-[1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]ethyl]-1,3,4-thiadiazole
CID 71004644
2-Ethyl-5-(fluoromethyl)-1,3,4-thiadiazole
CID 89030372
2-Propan-2-yl-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole
CID 144946175
2-Butylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 154361514
1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-2-thiol
CID 173277718
2-Ethyl-5-(1-fluorocyclopropyl)-1,3,4-thiadiazole
CID 177049637
2-[(3S)-3-fluorobutyl]sulfanyl-5-methyl-1,3,4-thiadiazole
CID 124292365

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-(1-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole (CID 70413398) is 2-(1-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole is CCC(F)c1nnc(SC)s1.
What is the InChIKey of 2-(1-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The InChIKey is DPTRLHDZBKJZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2S2/c1-3-4(7)5-8-9-6(10-2)11-5/h4H,3H2,1-2H3.
What are the key properties of 2-(1-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole?
2-(1-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole has a molecular weight of 192.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoropropyl)-5-methylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 70413398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).