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

C20H18N6O2S2 — CID 55978271

IUPAC4-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-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)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C20H18N6O2S2/c1-10-11(2)25-26(4)19(28)14(10)18-21-12(3)15(29-18)16(27)22-20-24-23-17(30-20)13-8-6-5-7-9-13/h5-9H,1-4H3,(H,22,24,27)
InChIKeyLXOFJYJZMQBQNU-UHFFFAOYSA-N
MW438.54 g/mol
LogP3.60
Rot. Bonds4

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

4-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 55978271) has the molecular formula C20H18N6O2S2 and a molecular weight of 438.54 g/mol. Its IUPAC name is 4-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID55978271
Molecular FormulaC20H18N6O2S2
Molecular Weight438.54 g/mol
Exact Mass438.09
IUPAC Name4-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-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)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C20H18N6O2S2/c1-10-11(2)25-26(4)19(28)14(10)18-21-12(3)15(29-18)16(27)22-20-24-23-17(30-20)13-8-6-5-7-9-13/h5-9H,1-4H3,(H,22,24,27)
InChIKeyLXOFJYJZMQBQNU-UHFFFAOYSA-N
XLogP3.60
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-ethylphenyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39004841
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-(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
2-cyclopropyl-2-[[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
CID 119213229
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-(3,3-dimethylbutyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 34712738
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 55678350
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-[3-(3-ethoxypropylcarbamoyl)phenyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 55967772

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide (CID 55978271) is 4-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-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)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 4-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is LXOFJYJZMQBQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2S2/c1-10-11(2)25-26(4)19(28)14(10)18-21-12(3)15(29-18)16(27)22-20-24-23-17(30-20)13-8-6-5-7-9-13/h5-9H,1-4H3,(H,22,24,27).
What are the key properties of 4-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 438.54 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55978271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).