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

C7H3N5S2 — CID 130587844

IUPAC4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(Sc2nncs2)n1
InChIInChI=1S/C7H3N5S2/c8-3-5-9-2-1-6(11-5)14-7-12-10-4-13-7/h1-2,4H
InChIKeyWDMORXMDOBFNOI-UHFFFAOYSA-N
MW221.27 g/mol
LogP1.35
Rot. Bonds2

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

4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-2-carbonitrile (PubChem CID 130587844) has the molecular formula C7H3N5S2 and a molecular weight of 221.27 g/mol. Its IUPAC name is 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-2-carbonitrile
PubChem CID130587844
Molecular FormulaC7H3N5S2
Molecular Weight221.27 g/mol
Exact Mass220.98
IUPAC Name4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(Sc2nncs2)n1
InChIInChI=1S/C7H3N5S2/c8-3-5-9-2-1-6(11-5)14-7-12-10-4-13-7/h1-2,4H
InChIKeyWDMORXMDOBFNOI-UHFFFAOYSA-N
XLogP1.35
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carbonitrile
CID 130942463
2-methoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine
CID 43262797
4-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 130656080
2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 106878213
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
CID 83155650
(1S)-1-[5-(1,3,4-thiadiazol-2-ylsulfanyl)-2-pyridinyl]ethanol
CID 83128395
[2-(1,3,4-thiadiazol-2-ylsulfanyl)quinolin-4-yl]methanamine
CID 63883544
1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
CID 63813408
4-(1-benzothiophen-3-yl)pyrimidine-2-carbonitrile
CID 116900915
4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566656
1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
CID 63814151
[1,3]thiazolo[4,5-d]pyrimidine-5-carbonitrile
CID 91066411

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-2-carbonitrile?
The IUPAC name of 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-2-carbonitrile (CID 130587844) is 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-2-carbonitrile?
The canonical SMILES for 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-2-carbonitrile is N#Cc1nccc(Sc2nncs2)n1.
What is the InChIKey of 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-2-carbonitrile?
The InChIKey is WDMORXMDOBFNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3N5S2/c8-3-5-9-2-1-6(11-5)14-7-12-10-4-13-7/h1-2,4H.
What are the key properties of 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-2-carbonitrile?
4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-2-carbonitrile has a molecular weight of 221.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-2-carbonitrile is sourced from PubChem (CID 130587844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).