2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)acetonitrile

C16H16F2N4OS — CID 164530324

IUPAC2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)acetonitrile
SMILESN#CC(c1scnc1C(F)F)N1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C16H16F2N4OS/c17-16(18)14-15(24-10-21-14)12(9-19)22-7-4-11(5-8-22)23-13-3-1-2-6-20-13/h1-3,6,10-12,16H,4-5,7-8H2
InChIKeyMJAYXGHKWGIYKX-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.58
Rot. Bonds5

About 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)acetonitrile

2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)acetonitrile (PubChem CID 164530324) has the molecular formula C16H16F2N4OS and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)acetonitrile
PubChem CID164530324
Molecular FormulaC16H16F2N4OS
Molecular Weight350.39 g/mol
Exact Mass350.10
IUPAC Name2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)acetonitrile
SMILESN#CC(c1scnc1C(F)F)N1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C16H16F2N4OS/c17-16(18)14-15(24-10-21-14)12(9-19)22-7-4-11(5-8-22)23-13-3-1-2-6-20-13/h1-3,6,10-12,16H,4-5,7-8H2
InChIKeyMJAYXGHKWGIYKX-UHFFFAOYSA-N
XLogP3.58
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]acetonitrile
CID 134314456
2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
CID 134314504
2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
CID 134314269
2-chloro-N-[2-[4-[(6-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[4-(difluoromethyl)-1,3-thiazol-5-yl]ethyl]-6-fluorobenzamide
CID 164517813
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluorobenzamide
CID 164517820
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
2-phenyl-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798620
2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-6-fluorobenzamide
CID 164517848
3-pyridin-2-yloxycyclohexan-1-ol
CID 117051379
N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(3,5-difluorophenoxy)piperidin-1-yl]ethyl]quinoline-5-carboxamide
CID 134303530
N-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-[4-(difluoromethyl)-1,3-thiazol-5-yl]ethyl]quinoline-5-carboxamide
CID 134303629

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)acetonitrile?
The IUPAC name of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)acetonitrile (CID 164530324) is 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)acetonitrile is N#CC(c1scnc1C(F)F)N1CCC(Oc2ccccn2)CC1.
What is the InChIKey of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)acetonitrile?
The InChIKey is MJAYXGHKWGIYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4OS/c17-16(18)14-15(24-10-21-14)12(9-19)22-7-4-11(5-8-22)23-13-3-1-2-6-20-13/h1-3,6,10-12,16H,4-5,7-8H2.
What are the key properties of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)acetonitrile?
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)acetonitrile has a molecular weight of 350.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)acetonitrile is sourced from PubChem (CID 164530324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).