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

C18H20FN3OS — CID 134314269

IUPAC2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
SMILESCc1ncsc1C(C#N)N1CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C18H20FN3OS/c1-13-18(24-12-21-13)17(10-20)22-8-6-15(7-9-22)23-11-14-4-2-3-5-16(14)19/h2-5,12,15,17H,6-9,11H2,1H3
InChIKeyGMWIBXSKPXIDEB-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.84
Rot. Bonds5

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

2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile (PubChem CID 134314269) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
PubChem CID134314269
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC Name2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
SMILESCc1ncsc1C(C#N)N1CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C18H20FN3OS/c1-13-18(24-12-21-13)17(10-20)22-8-6-15(7-9-22)23-11-14-4-2-3-5-16(14)19/h2-5,12,15,17H,6-9,11H2,1H3
InChIKeyGMWIBXSKPXIDEB-UHFFFAOYSA-N
XLogP3.84
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 134314418
2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
CID 134314504
2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
CID 142296709
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]acetonitrile
CID 134314456
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)acetonitrile
CID 164530324
5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole
CID 126829118
2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine
CID 118297265
1-[(1-ethylpyrazol-4-yl)methyl]-4-[(2-fluorophenyl)methoxy]piperidine
CID 75500048
ethyl 1-[cyano-(2-fluorophenyl)methyl]piperidine-4-carboxylate
CID 84756740
5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid
CID 167909565
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine
CID 164530257

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile?
The IUPAC name of 2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile (CID 134314269) is 2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile is Cc1ncsc1C(C#N)N1CCC(OCc2ccccc2F)CC1.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile?
The InChIKey is GMWIBXSKPXIDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-13-18(24-12-21-13)17(10-20)22-8-6-15(7-9-22)23-11-14-4-2-3-5-16(14)19/h2-5,12,15,17H,6-9,11H2,1H3.
What are the key properties of 2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile?
2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile has a molecular weight of 345.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile is sourced from PubChem (CID 134314269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).