4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C20H19N5O2S — CID 166252573

IUPAC4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)Nc1cccc(C2CCCC(=O)N2)c1
InChIInChI=1S/C20H19N5O2S/c1-12-17(28-20(23-12)18-21-9-4-10-22-18)19(27)24-14-6-2-5-13(11-14)15-7-3-8-16(26)25-15/h2,4-6,9-11,15H,3,7-8H2,1H3,(H,24,27)(H,25,26)
InChIKeySNYOELXRIOTSPA-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.50
Rot. Bonds4

About 4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 166252573) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID166252573
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)Nc1cccc(C2CCCC(=O)N2)c1
InChIInChI=1S/C20H19N5O2S/c1-12-17(28-20(23-12)18-21-9-4-10-22-18)19(27)24-14-6-2-5-13(11-14)15-7-3-8-16(26)25-15/h2,4-6,9-11,15H,3,7-8H2,1H3,(H,24,27)(H,25,26)
InChIKeySNYOELXRIOTSPA-UHFFFAOYSA-N
XLogP3.50
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55814625
N-(4-carbamoylphenyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 60527460
N-(1,3-benzodioxol-5-yl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 71940524
N-(3-chlorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138637
N-(3,4-dipropoxyphenyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55811490
N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55894701
N-[(3-carbamoylphenyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55872207
4-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 94823559
4-methyl-2-pyrimidin-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 55810916
(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 47065787
N-[3-(6-oxopiperidin-2-yl)phenyl]-1-piperidin-3-ylpyrazole-4-carboxamide
CID 166251956
4-methoxy-N-[3-(5-oxopyrrolidin-2-yl)phenyl]pyridine-3-carboxamide
CID 167991293

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 166252573) is 4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncccn2)sc1C(=O)Nc1cccc(C2CCCC(=O)N2)c1.
What is the InChIKey of 4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is SNYOELXRIOTSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-12-17(28-20(23-12)18-21-9-4-10-22-18)19(27)24-14-6-2-5-13(11-14)15-7-3-8-16(26)25-15/h2,4-6,9-11,15H,3,7-8H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(6-oxopiperidin-2-yl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166252573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).