(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carbonitrile

C12H18N4S — CID 124854171

IUPAC(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carbonitrile
SMILESCC(C)c1nnsc1CN1CCC[C@@H](C#N)C1
InChIInChI=1S/C12H18N4S/c1-9(2)12-11(17-15-14-12)8-16-5-3-4-10(6-13)7-16/h9-10H,3-5,7-8H2,1-2H3/t10-/m0/s1
InChIKeyWTJPQOYRQZWJKR-JTQLQIEISA-N
MW250.37 g/mol
LogP2.40
Rot. Bonds3

About (3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carbonitrile

(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carbonitrile (PubChem CID 124854171) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is (3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carbonitrile
PubChem CID124854171
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carbonitrile
SMILESCC(C)c1nnsc1CN1CCC[C@@H](C#N)C1
InChIInChI=1S/C12H18N4S/c1-9(2)12-11(17-15-14-12)8-16-5-3-4-10(6-13)7-16/h9-10H,3-5,7-8H2,1-2H3/t10-/m0/s1
InChIKeyWTJPQOYRQZWJKR-JTQLQIEISA-N
XLogP2.40
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile
CID 107042907
4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine
CID 156603454
(3R,4S)-4-cyclopropyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-3-amine
CID 72921116
1-(4-methylpentyl)piperidine-3-carbonitrile
CID 83156656
1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-3-carbonitrile
CID 135098483
1-benzylpiperidine-3-carbonitrile
CID 22931257
(3S)-1-benzylpiperidine-3-carbonitrile
CID 86315096
1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile
CID 123687188
5-[(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methyl]-4-propan-2-ylthiadiazole
CID 91828935
9-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56897812
5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-4-propan-2-ylthiadiazole
CID 91829948
1-(3-methylbutyl)azepane-4-carbonitrile
CID 118000507

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carbonitrile?
The IUPAC name of (3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carbonitrile (CID 124854171) is (3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carbonitrile.
What is the SMILES notation for (3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carbonitrile?
The canonical SMILES for (3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carbonitrile is CC(C)c1nnsc1CN1CCC[C@@H](C#N)C1.
What is the InChIKey of (3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carbonitrile?
The InChIKey is WTJPQOYRQZWJKR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4S/c1-9(2)12-11(17-15-14-12)8-16-5-3-4-10(6-13)7-16/h9-10H,3-5,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carbonitrile?
(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carbonitrile has a molecular weight of 250.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carbonitrile is sourced from PubChem (CID 124854171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).