N-(3,3-dimethylbutyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide

C18H26N4O2S — CID 34712738

IUPACN-(3,3-dimethylbutyl)-4-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)NCCC(C)(C)C
InChIInChI=1S/C18H26N4O2S/c1-10-11(2)21-22(7)17(24)13(10)16-20-12(3)14(25-16)15(23)19-9-8-18(4,5)6/h8-9H2,1-7H3,(H,19,23)
InChIKeyTUVWGFRARRJQMW-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.00
Rot. Bonds4

About N-(3,3-dimethylbutyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide

N-(3,3-dimethylbutyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 34712738) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID34712738
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN-(3,3-dimethylbutyl)-4-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)NCCC(C)(C)C
InChIInChI=1S/C18H26N4O2S/c1-10-11(2)21-22(7)17(24)13(10)16-20-12(3)14(25-16)15(23)19-9-8-18(4,5)6/h8-9H2,1-7H3,(H,19,23)
InChIKeyTUVWGFRARRJQMW-UHFFFAOYSA-N
XLogP3.00
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(3-ethoxypropyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39005134
N-cyclopropyl-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39896132
3-[2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]ethyldisulfanyl]propanoic acid;2,2,2-trifluoroacetic acid
CID 167815513
4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 119451532
N-[2-(2,3-dichlorophenyl)ethyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 55972219
4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119451531
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119598676
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-(4-ethylphenyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39004841
N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119610624
2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
CID 119213229

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,3-dimethylbutyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide (CID 34712738) is N-(3,3-dimethylbutyl)-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-dimethylbutyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-4-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)NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is TUVWGFRARRJQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-10-11(2)21-22(7)17(24)13(10)16-20-12(3)14(25-16)15(23)19-9-8-18(4,5)6/h8-9H2,1-7H3,(H,19,23).
What are the key properties of N-(3,3-dimethylbutyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
N-(3,3-dimethylbutyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 34712738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).