4-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide

C25H29N5O3S — CID 55967107

IUPAC4-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C25H29N5O3S/c1-15-16(2)28-29(4)25(33)20(15)23-27-17(3)21(34-23)22(31)26-14-18-9-8-10-19(13-18)24(32)30-11-6-5-7-12-30/h8-10,13H,5-7,11-12,14H2,1-4H3,(H,26,31)
InChIKeyIMUVPWXLVVBDIZ-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.39
Rot. Bonds5

About 4-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide

4-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 55967107) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is 4-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID55967107
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC Name4-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C25H29N5O3S/c1-15-16(2)28-29(4)25(33)20(15)23-27-17(3)21(34-23)22(31)26-14-18-9-8-10-19(13-18)24(32)30-11-6-5-7-12-30/h8-10,13H,5-7,11-12,14H2,1-4H3,(H,26,31)
InChIKeyIMUVPWXLVVBDIZ-UHFFFAOYSA-N
XLogP3.39
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethylphenyl)-4-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 46467041
4-methyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 55964902
1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide
CID 55722187
2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 55692999
N-[2-(2,3-dichlorophenyl)ethyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 55972219
N-(2,5-dimethylpyrazol-3-yl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 60573724
N-[1-[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 55965592
N-(3,3-dimethylbutyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 34712738
N-(4-ethylphenyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39004841
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 55968472
N-cyclopropyl-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39896132

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide (CID 55967107) is 4-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of 4-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is IMUVPWXLVVBDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-15-16(2)28-29(4)25(33)20(15)23-27-17(3)21(34-23)22(31)26-14-18-9-8-10-19(13-18)24(32)30-11-6-5-7-12-30/h8-10,13H,5-7,11-12,14H2,1-4H3,(H,26,31).
What are the key properties of 4-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
4-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55967107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).