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

C24H29N5O4S — CID 55967772

IUPACN-[3-(3-ethoxypropylcarbamoyl)phenyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)c1
InChIInChI=1S/C24H29N5O4S/c1-6-33-12-8-11-25-21(30)17-9-7-10-18(13-17)27-22(31)20-16(4)26-23(34-20)19-14(2)15(3)28-29(5)24(19)32/h7,9-10,13H,6,8,11-12H2,1-5H3,(H,25,30)(H,27,31)
InChIKeyMHVAPDXMEHGSGQ-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.24
Rot. Bonds9

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

N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 55967772) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3-ethoxypropylcarbamoyl)phenyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID55967772
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC NameN-[3-(3-ethoxypropylcarbamoyl)phenyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)c1
InChIInChI=1S/C24H29N5O4S/c1-6-33-12-8-11-25-21(30)17-9-7-10-18(13-17)27-22(31)20-16(4)26-23(34-20)19-14(2)15(3)28-29(5)24(19)32/h7,9-10,13H,6,8,11-12H2,1-5H3,(H,25,30)(H,27,31)
InChIKeyMHVAPDXMEHGSGQ-UHFFFAOYSA-N
XLogP3.24
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39005134
4-methyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 55964902
N-(4-ethylphenyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39004841
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 78864839
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-(3,3-dimethylbutyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 34712738
ethyl 6-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55801513
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
N-(2,4-dimethylphenyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 134062994
N-cyclopropyl-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39896132
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119180627

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide (CID 55967772) is N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide is CCOCCCNC(=O)c1cccc(NC(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)c1.
What is the InChIKey of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is MHVAPDXMEHGSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-6-33-12-8-11-25-21(30)17-9-7-10-18(13-17)27-22(31)20-16(4)26-23(34-20)19-14(2)15(3)28-29(5)24(19)32/h7,9-10,13H,6,8,11-12H2,1-5H3,(H,25,30)(H,27,31).
What are the key properties of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethoxypropylcarbamoyl)phenyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55967772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).