6-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile

C12H11N5S2 — CID 47070036

IUPAC6-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Sc2nnc(N3CCCC3)s2)nc1
InChIInChI=1S/C12H11N5S2/c13-7-9-3-4-10(14-8-9)18-12-16-15-11(19-12)17-5-1-2-6-17/h3-4,8H,1-2,5-6H2
InChIKeyDQUYKHQYAHVOSC-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.56
Rot. Bonds3

About 6-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile

6-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile (PubChem CID 47070036) has the molecular formula C12H11N5S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 6-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
PubChem CID47070036
Molecular FormulaC12H11N5S2
Molecular Weight289.39 g/mol
Exact Mass289.05
IUPAC Name6-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Sc2nnc(N3CCCC3)s2)nc1
InChIInChI=1S/C12H11N5S2/c13-7-9-3-4-10(14-8-9)18-12-16-15-11(19-12)17-5-1-2-6-17/h3-4,8H,1-2,5-6H2
InChIKeyDQUYKHQYAHVOSC-UHFFFAOYSA-N
XLogP2.56
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile (CID 47070036) is 6-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile is N#Cc1ccc(Sc2nnc(N3CCCC3)s2)nc1.
What is the InChIKey of 6-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
The InChIKey is DQUYKHQYAHVOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S2/c13-7-9-3-4-10(14-8-9)18-12-16-15-11(19-12)17-5-1-2-6-17/h3-4,8H,1-2,5-6H2.
What are the key properties of 6-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
6-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile has a molecular weight of 289.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 47070036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).