2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile

C5H4FN3S2 — CID 10965285

IUPAC2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile
SMILESCc1nnc(SC(F)C#N)s1
InChIInChI=1S/C5H4FN3S2/c1-3-8-9-5(10-3)11-4(6)2-7/h4H,1H3
InChIKeySSOQJUJQNFFLNR-UHFFFAOYSA-N
MW189.24 g/mol
LogP1.76
Rot. Bonds2

About 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile

2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile (PubChem CID 10965285) has the molecular formula C5H4FN3S2 and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile
PubChem CID10965285
Molecular FormulaC5H4FN3S2
Molecular Weight189.24 g/mol
Exact Mass188.98
IUPAC Name2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile
SMILESCc1nnc(SC(F)C#N)s1
InChIInChI=1S/C5H4FN3S2/c1-3-8-9-5(10-3)11-4(6)2-7/h4H,1H3
InChIKeySSOQJUJQNFFLNR-UHFFFAOYSA-N
XLogP1.76
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile?
The IUPAC name of 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile (CID 10965285) is 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile.
What is the SMILES notation for 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile?
The canonical SMILES for 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile is Cc1nnc(SC(F)C#N)s1.
What is the InChIKey of 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile?
The InChIKey is SSOQJUJQNFFLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FN3S2/c1-3-8-9-5(10-3)11-4(6)2-7/h4H,1H3.
What are the key properties of 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile?
2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile has a molecular weight of 189.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile is sourced from PubChem (CID 10965285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).