2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile

C19H23N3OS — CID 142296709

IUPAC2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
SMILESCc1ccc(COC2CCN(C(C#N)c3scnc3C)CC2)cc1
InChIInChI=1S/C19H23N3OS/c1-14-3-5-16(6-4-14)12-23-17-7-9-22(10-8-17)18(11-20)19-15(2)21-13-24-19/h3-6,13,17-18H,7-10,12H2,1-2H3
InChIKeyYNHFMZSYVZNPPU-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.01
Rot. Bonds5

About 2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile

2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile (PubChem CID 142296709) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
PubChem CID142296709
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
SMILESCc1ccc(COC2CCN(C(C#N)c3scnc3C)CC2)cc1
InChIInChI=1S/C19H23N3OS/c1-14-3-5-16(6-4-14)12-23-17-7-9-22(10-8-17)18(11-20)19-15(2)21-13-24-19/h3-6,13,17-18H,7-10,12H2,1-2H3
InChIKeyYNHFMZSYVZNPPU-UHFFFAOYSA-N
XLogP4.01
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
CID 134314269
2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
CID 134314504
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]acetonitrile
CID 134314456
2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 134314418
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)acetonitrile
CID 164530324
2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine
CID 118297265
tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
CID 19796267
2-[(1S)-1-(4-phenylmethoxypiperidin-1-yl)ethyl]pyrazine
CID 124617418
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine
CID 164530257
4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine
CID 133422212
5-[(1-ethylpiperidin-4-yl)oxymethyl]pyridin-2-amine
CID 141417903
7-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]quinazolin-2-amine
CID 123925648

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile?
The IUPAC name of 2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile (CID 142296709) is 2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile?
The canonical SMILES for 2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile is Cc1ccc(COC2CCN(C(C#N)c3scnc3C)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile?
The InChIKey is YNHFMZSYVZNPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-14-3-5-16(6-4-14)12-23-17-7-9-22(10-8-17)18(11-20)19-15(2)21-13-24-19/h3-6,13,17-18H,7-10,12H2,1-2H3.
What are the key properties of 2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile?
2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile has a molecular weight of 341.48 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile is sourced from PubChem (CID 142296709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).