2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile

C17H20N4OS — CID 126873643

IUPAC2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile
SMILESCc1nc(CN2CCC(COc3ncccc3C#N)CC2)cs1
InChIInChI=1S/C17H20N4OS/c1-13-20-16(12-23-13)10-21-7-4-14(5-8-21)11-22-17-15(9-18)3-2-6-19-17/h2-3,6,12,14H,4-5,7-8,10-11H2,1H3
InChIKeyKUOUYAWEXHBPDO-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.01
Rot. Bonds5

About 2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile

2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile (PubChem CID 126873643) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile
PubChem CID126873643
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile
SMILESCc1nc(CN2CCC(COc3ncccc3C#N)CC2)cs1
InChIInChI=1S/C17H20N4OS/c1-13-20-16(12-23-13)10-21-7-4-14(5-8-21)11-22-17-15(9-18)3-2-6-19-17/h2-3,6,12,14H,4-5,7-8,10-11H2,1H3
InChIKeyKUOUYAWEXHBPDO-UHFFFAOYSA-N
XLogP3.01
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873654
2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873922
4-[[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 163354714
N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 63250806
4-acetyl-2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]benzonitrile
CID 133457998
2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873681
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 55258935
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
2-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873514
2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 72717266
4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 166600976
4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 90494064

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile (CID 126873643) is 2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile is Cc1nc(CN2CCC(COc3ncccc3C#N)CC2)cs1.
What is the InChIKey of 2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
The InChIKey is KUOUYAWEXHBPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-13-20-16(12-23-13)10-21-7-4-14(5-8-21)11-22-17-15(9-18)3-2-6-19-17/h2-3,6,12,14H,4-5,7-8,10-11H2,1H3.
What are the key properties of 2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile has a molecular weight of 328.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 126873643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).