N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C22H22N4O3S — CID 47031679

IUPACN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1N1CCCCC1=O
InChIInChI=1S/C22H22N4O3S/c1-14-20(30-22(24-14)16-7-3-5-11-23-16)21(28)25-15-9-10-18(29-2)17(13-15)26-12-6-4-8-19(26)27/h3,5,7,9-11,13H,4,6,8,12H2,1-2H3,(H,25,28)
InChIKeyMIIXCZVLXFCGDE-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.29
Rot. Bonds5

About N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 47031679) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID47031679
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1N1CCCCC1=O
InChIInChI=1S/C22H22N4O3S/c1-14-20(30-22(24-14)16-7-3-5-11-23-16)21(28)25-15-9-10-18(29-2)17(13-15)26-12-6-4-8-19(26)27/h3,5,7,9-11,13H,4,6,8,12H2,1-2H3,(H,25,28)
InChIKeyMIIXCZVLXFCGDE-UHFFFAOYSA-N
XLogP4.29
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 33308450
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87046164
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 35390097
3-chloro-6-fluoro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 55691945
4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55406198
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3H-benzimidazole-5-carboxamide
CID 92862558
2-ethoxy-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7687841
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935216
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55692006
N-(3-chlorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138637
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea
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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 47031679) is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is COc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1N1CCCCC1=O.
What is the InChIKey of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is MIIXCZVLXFCGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-14-20(30-22(24-14)16-7-3-5-11-23-16)21(28)25-15-9-10-18(29-2)17(13-15)26-12-6-4-8-19(26)27/h3,5,7,9-11,13H,4,6,8,12H2,1-2H3,(H,25,28).
What are the key properties of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47031679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).