N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-thiazole-3-carboxamide

C22H18F2N4O2S — CID 151939823

IUPACN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-thiazole-3-carboxamide
SMILESN#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2ccsn2)c1
InChIInChI=1S/C22H18F2N4O2S/c23-15-2-4-21(17(24)12-15)30-16-5-8-28(9-6-16)20-3-1-14(13-25)11-19(20)26-22(29)18-7-10-31-27-18/h1-4,7,10-12,16H,5-6,8-9H2,(H,26,29)
InChIKeyTUKPHEJXTHIWGC-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.59
Rot. Bonds5

About N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-thiazole-3-carboxamide

N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-thiazole-3-carboxamide (PubChem CID 151939823) has the molecular formula C22H18F2N4O2S and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-thiazole-3-carboxamide
PubChem CID151939823
Molecular FormulaC22H18F2N4O2S
Molecular Weight440.48 g/mol
Exact Mass440.11
IUPAC NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-thiazole-3-carboxamide
SMILESN#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2ccsn2)c1
InChIInChI=1S/C22H18F2N4O2S/c23-15-2-4-21(17(24)12-15)30-16-5-8-28(9-6-16)20-3-1-14(13-25)11-19(20)26-22(29)18-7-10-31-27-18/h1-4,7,10-12,16H,5-6,8-9H2,(H,26,29)
InChIKeyTUKPHEJXTHIWGC-UHFFFAOYSA-N
XLogP4.59
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 148777956
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4,5-difluoro-2-methoxybenzamide
CID 151568344
3,5-dichloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxybenzamide
CID 150558628
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxy-5-methylbenzamide
CID 150407559
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 135349309
N-[4-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methoxypyridine-3-carboxamide
CID 151702106
4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(2-methyl-2H-1,3-oxazol-3-yl)benzonitrile
CID 168866242
4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(2-methyl-2H-pyrimidin-1-yl)benzonitrile
CID 168866224
4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(5-methyl-2H-1,3-oxazol-3-yl)benzonitrile
CID 168866230
methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate
CID 150983150
4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(6-methoxy-2H-pyridin-1-yl)benzonitrile
CID 168866228
N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide
CID 175415559

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-thiazole-3-carboxamide?
The IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-thiazole-3-carboxamide (CID 151939823) is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-thiazole-3-carboxamide is N#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2ccsn2)c1.
What is the InChIKey of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-thiazole-3-carboxamide?
The InChIKey is TUKPHEJXTHIWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2S/c23-15-2-4-21(17(24)12-15)30-16-5-8-28(9-6-16)20-3-1-14(13-25)11-19(20)26-22(29)18-7-10-31-27-18/h1-4,7,10-12,16H,5-6,8-9H2,(H,26,29).
What are the key properties of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-thiazole-3-carboxamide?
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-thiazole-3-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 151939823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).