6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carbonitrile

C8H5N5S2 — CID 107551347

IUPAC6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Sc2nncs2)n1
InChIInChI=1S/C8H5N5S2/c1-5-2-6(3-9)12-7(11-5)15-8-13-10-4-14-8/h2,4H,1H3
InChIKeyLXMRXRXRWJZMLO-UHFFFAOYSA-N
MW235.30 g/mol
LogP1.66
Rot. Bonds2

About 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carbonitrile

6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carbonitrile (PubChem CID 107551347) has the molecular formula C8H5N5S2 and a molecular weight of 235.30 g/mol. Its IUPAC name is 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carbonitrile
PubChem CID107551347
Molecular FormulaC8H5N5S2
Molecular Weight235.30 g/mol
Exact Mass235.00
IUPAC Name6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Sc2nncs2)n1
InChIInChI=1S/C8H5N5S2/c1-5-2-6(3-9)12-7(11-5)15-8-13-10-4-14-8/h2,4H,1H3
InChIKeyLXMRXRXRWJZMLO-UHFFFAOYSA-N
XLogP1.66
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carbonitrile (CID 107551347) is 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(Sc2nncs2)n1.
What is the InChIKey of 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carbonitrile?
The InChIKey is LXMRXRXRWJZMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5S2/c1-5-2-6(3-9)12-7(11-5)15-8-13-10-4-14-8/h2,4H,1H3.
What are the key properties of 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carbonitrile?
6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carbonitrile has a molecular weight of 235.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107551347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).