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

C17H18FN3OS — CID 134314504

IUPAC2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
SMILESCc1ncsc1C(C#N)N1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C17H18FN3OS/c1-12-17(23-11-20-12)15(10-19)21-8-6-13(7-9-21)22-16-5-3-2-4-14(16)18/h2-5,11,13,15H,6-9H2,1H3
InChIKeyNIYJUCUMPFTASK-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.70
Rot. Bonds4

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

2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile (PubChem CID 134314504) has the molecular formula C17H18FN3OS and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
PubChem CID134314504
Molecular FormulaC17H18FN3OS
Molecular Weight331.42 g/mol
Exact Mass331.12
IUPAC Name2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
SMILESCc1ncsc1C(C#N)N1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C17H18FN3OS/c1-12-17(23-11-20-12)15(10-19)21-8-6-13(7-9-21)22-16-5-3-2-4-14(16)18/h2-5,11,13,15H,6-9H2,1H3
InChIKeyNIYJUCUMPFTASK-UHFFFAOYSA-N
XLogP3.70
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.70
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)acetonitrile
CID 134314269
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-pyridin-2-yloxypiperidin-1-yl)acetonitrile
CID 164530324
2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine
CID 118297265
2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 134314418
2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxybenzonitrile
CID 117096359
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]acetonitrile
CID 134314456
2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline
CID 166141504
4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 46981140
2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(2-fluoro-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluorobenzamide
CID 164517866
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 90616906
2-cyclopropyloxy-N-(4-methyl-1,3-thiazol-5-yl)benzamide
CID 167900234

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile?
The IUPAC name of 2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile (CID 134314504) is 2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile?
The canonical SMILES for 2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile is Cc1ncsc1C(C#N)N1CCC(Oc2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile?
The InChIKey is NIYJUCUMPFTASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3OS/c1-12-17(23-11-20-12)15(10-19)21-8-6-13(7-9-21)22-16-5-3-2-4-14(16)18/h2-5,11,13,15H,6-9H2,1H3.
What are the key properties of 2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile?
2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile has a molecular weight of 331.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile is sourced from PubChem (CID 134314504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).