2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid

C17H20N4O4S — CID 119213229

IUPAC2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
SMILESCc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C17H20N4O4S/c1-7-8(2)20-21(4)16(23)11(7)15-18-9(3)13(26-15)14(22)19-12(17(24)25)10-5-6-10/h10,12H,5-6H2,1-4H3,(H,19,22)(H,24,25)
InChIKeyMBPCZLCLRROTTA-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.42
Rot. Bonds5

About 2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid

2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid (PubChem CID 119213229) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
PubChem CID119213229
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
SMILESCc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C17H20N4O4S/c1-7-8(2)20-21(4)16(23)11(7)15-18-9(3)13(26-15)14(22)19-12(17(24)25)10-5-6-10/h10,12H,5-6H2,1-4H3,(H,19,22)(H,24,25)
InChIKeyMBPCZLCLRROTTA-UHFFFAOYSA-N
XLogP1.42
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid with MolForge

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Related Compounds

N-cyclopropyl-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39896132
4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 119451532
4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119451531
4-methyl-N-(3-methylpiperidin-4-yl)-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 120556282
N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119610624
N-(2,5-dimethylpyrazol-3-yl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 60573724
(2R)-1-[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370522
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-cycloheptyl-N,4-dimethyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 48529253
N-(3-ethoxypropyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39005134
2,5,6-trimethyl-4-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]pyridazin-3-one
CID 119650128

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid (CID 119213229) is 2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid is Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid?
The InChIKey is MBPCZLCLRROTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-7-8(2)20-21(4)16(23)11(7)15-18-9(3)13(26-15)14(22)19-12(17(24)25)10-5-6-10/h10,12H,5-6H2,1-4H3,(H,19,22)(H,24,25).
What are the key properties of 2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid?
2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid has a molecular weight of 376.44 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 119213229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).