2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile

C9H12N4S — CID 130550060

IUPAC2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile
SMILESN#CC1(Cc2csnn2)CCCCN1
InChIInChI=1S/C9H12N4S/c10-7-9(3-1-2-4-11-9)5-8-6-14-13-12-8/h6,11H,1-5H2
InChIKeyBWWCFAHDEPXOET-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.12
Rot. Bonds2

About 2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile

2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile (PubChem CID 130550060) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile
PubChem CID130550060
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile
SMILESN#CC1(Cc2csnn2)CCCCN1
InChIInChI=1S/C9H12N4S/c10-7-9(3-1-2-4-11-9)5-8-6-14-13-12-8/h6,11H,1-5H2
InChIKeyBWWCFAHDEPXOET-UHFFFAOYSA-N
XLogP1.12
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile
CID 130601880
2-(2-fluoroethyl)piperidine-2-carbonitrile
CID 126980040
2-(2-hydroxyethyl)piperidine-2-carbonitrile
CID 130542465
4-[[1-(chloromethyl)cyclobutyl]methyl]thiadiazole
CID 130550088
2-(3-methylbutyl)piperidine-2-carbonitrile
CID 130542472
1-[methyl(thiadiazol-4-ylmethyl)amino]cyclopropane-1-carbonitrile
CID 164658078
2-(aminomethyl)-2-(thiadiazol-4-ylmethyl)cyclopentan-1-ol
CID 130550062
5-methyl-5-(thiadiazol-4-ylmethyl)pyrrolidin-2-one
CID 130592775
1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 115907322
2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid
CID 131182150
3-(thiadiazol-4-ylmethyl)oxolan-3-ol
CID 130550157
4-[(thiadiazol-4-ylmethylamino)methyl]benzonitrile
CID 60917958

Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile?
The IUPAC name of 2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile (CID 130550060) is 2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile.
What is the SMILES notation for 2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile?
The canonical SMILES for 2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile is N#CC1(Cc2csnn2)CCCCN1.
What is the InChIKey of 2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile?
The InChIKey is BWWCFAHDEPXOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c10-7-9(3-1-2-4-11-9)5-8-6-14-13-12-8/h6,11H,1-5H2.
What are the key properties of 2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile?
2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile has a molecular weight of 208.29 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile is sourced from PubChem (CID 130550060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).