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

C9H6N4S3 — CID 47150238

IUPAC6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCSc1nnc(Sc2ccc(C#N)cn2)s1
InChIInChI=1S/C9H6N4S3/c1-14-8-12-13-9(16-8)15-7-3-2-6(4-10)5-11-7/h2-3,5H,1H3
InChIKeyVLQVTRQFYLZREP-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.68
Rot. Bonds3

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

6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile (PubChem CID 47150238) has the molecular formula C9H6N4S3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
PubChem CID47150238
Molecular FormulaC9H6N4S3
Molecular Weight266.38 g/mol
Exact Mass265.98
IUPAC Name6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCSc1nnc(Sc2ccc(C#N)cn2)s1
InChIInChI=1S/C9H6N4S3/c1-14-8-12-13-9(16-8)15-7-3-2-6(4-10)5-11-7/h2-3,5H,1H3
InChIKeyVLQVTRQFYLZREP-UHFFFAOYSA-N
XLogP2.68
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 115383909
3-chloro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzonitrile
CID 113298615
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 113298644
N-[[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 115383866
6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile
CID 47364170
(5-cyano-2-pyridinyl) thiohypochlorite
CID 143667938
2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 115280336
6-(2-bromophenyl)sulfanylpyridine-3-carbonitrile
CID 43236174
6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile
CID 104576652
2-[2-amino-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]acetonitrile
CID 102625100
6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
CID 18150125
6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile
CID 18167851

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile (CID 47150238) is 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile is CSc1nnc(Sc2ccc(C#N)cn2)s1.
What is the InChIKey of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
The InChIKey is VLQVTRQFYLZREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S3/c1-14-8-12-13-9(16-8)15-7-3-2-6(4-10)5-11-7/h2-3,5H,1H3.
What are the key properties of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile has a molecular weight of 266.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 47150238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).