2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile

C13H14N6S — CID 71873772

IUPAC2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1nsc(N2CCN(c3ncccc3C#N)CC2)n1
InChIInChI=1S/C13H14N6S/c1-10-16-13(20-17-10)19-7-5-18(6-8-19)12-11(9-14)3-2-4-15-12/h2-4H,5-8H2,1H3
InChIKeyXCTRJKVZOXFIOS-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.44
Rot. Bonds2

About 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile

2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 71873772) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID71873772
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC Name2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1nsc(N2CCN(c3ncccc3C#N)CC2)n1
InChIInChI=1S/C13H14N6S/c1-10-16-13(20-17-10)19-7-5-18(6-8-19)12-11(9-14)3-2-4-15-12/h2-4H,5-8H2,1H3
InChIKeyXCTRJKVZOXFIOS-UHFFFAOYSA-N
XLogP1.44
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78845359
2-thiomorpholin-4-ylpyridine-3-carbonitrile
CID 28787469
2-[4-(2-methyl-5-methylsulfonylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 72892481
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 47541076
5-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 139028556
2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile
CID 65281203
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 58826334
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171335886
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 28792674
2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110397273

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile (CID 71873772) is 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile is Cc1nsc(N2CCN(c3ncccc3C#N)CC2)n1.
What is the InChIKey of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is XCTRJKVZOXFIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S/c1-10-16-13(20-17-10)19-7-5-18(6-8-19)12-11(9-14)3-2-4-15-12/h2-4H,5-8H2,1H3.
What are the key properties of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 286.36 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 71873772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).