N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide

C22H22F2N4O2S — CID 60553886

IUPACN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESCc1sc(NC(=O)c2cccnc2N2CCCCC2)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C22H22F2N4O2S/c1-14-18(15-7-9-16(10-8-15)30-21(23)24)26-22(31-14)27-20(29)17-6-5-11-25-19(17)28-12-3-2-4-13-28/h5-11,21H,2-4,12-13H2,1H3,(H,26,27,29)
InChIKeyFVMKCXFMQNZGGZ-UHFFFAOYSA-N
MW444.51 g/mol
LogP5.36
Rot. Bonds6

About N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide

N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 60553886) has the molecular formula C22H22F2N4O2S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID60553886
Molecular FormulaC22H22F2N4O2S
Molecular Weight444.51 g/mol
Exact Mass444.14
IUPAC NameN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESCc1sc(NC(=O)c2cccnc2N2CCCCC2)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C22H22F2N4O2S/c1-14-18(15-7-9-16(10-8-15)30-21(23)24)26-22(31-14)27-20(29)17-6-5-11-25-19(17)28-12-3-2-4-13-28/h5-11,21H,2-4,12-13H2,1H3,(H,26,27,29)
InChIKeyFVMKCXFMQNZGGZ-UHFFFAOYSA-N
XLogP5.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.51
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 29322700
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 75468978
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633440
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597005
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 35540458
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31122981
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 4028071
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119693574
5-chloro-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 36809605
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 119273428
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31903835
2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide (CID 60553886) is N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide is Cc1sc(NC(=O)c2cccnc2N2CCCCC2)nc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is FVMKCXFMQNZGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2S/c1-14-18(15-7-9-16(10-8-15)30-21(23)24)26-22(31-14)27-20(29)17-6-5-11-25-19(17)28-12-3-2-4-13-28/h5-11,21H,2-4,12-13H2,1H3,(H,26,27,29).
What are the key properties of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide?
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 60553886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).