3-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]pyridine-2-carbonitrile

C15H16N4OS — CID 165432822

IUPAC3-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1N1CCCC(COc2nccs2)C1
InChIInChI=1S/C15H16N4OS/c16-9-13-14(4-1-5-17-13)19-7-2-3-12(10-19)11-20-15-18-6-8-21-15/h1,4-6,8,12H,2-3,7,10-11H2
InChIKeyVUEGSRLWMPPGRI-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.71
Rot. Bonds4

About 3-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]pyridine-2-carbonitrile

3-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 165432822) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID165432822
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name3-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1N1CCCC(COc2nccs2)C1
InChIInChI=1S/C15H16N4OS/c16-9-13-14(4-1-5-17-13)19-7-2-3-12(10-19)11-20-15-18-6-8-21-15/h1,4-6,8,12H,2-3,7,10-11H2
InChIKeyVUEGSRLWMPPGRI-UHFFFAOYSA-N
XLogP2.71
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole
CID 163357902
2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole
CID 163356995
3-[3-(methoxymethyl)piperidin-1-yl]pyridin-2-amine
CID 106585899
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312
3-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 155974260
2-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]acetamide
CID 163357599
2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3-thiazole
CID 138988972
2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 165434930
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352682
1-(2-cyano-3-pyridinyl)-N-cyclopropylazetidine-3-carboxamide
CID 171326516
3-(cycloheptylmethoxy)pyridine-2-carbonitrile
CID 114083871
3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 171993509

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]pyridine-2-carbonitrile (CID 165432822) is 3-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1ncccc1N1CCCC(COc2nccs2)C1.
What is the InChIKey of 3-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is VUEGSRLWMPPGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c16-9-13-14(4-1-5-17-13)19-7-2-3-12(10-19)11-20-15-18-6-8-21-15/h1,4-6,8,12H,2-3,7,10-11H2.
What are the key properties of 3-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]pyridine-2-carbonitrile?
3-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 300.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 165432822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).