N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide

C17H14N4O3S — CID 26196541

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(=O)n(C)n2)nc1-c1ccccc1
InChIInChI=1S/C17H14N4O3S/c1-10(22)15-14(11-6-4-3-5-7-11)18-17(25-15)19-16(24)12-8-9-13(23)21(2)20-12/h3-9H,1-2H3,(H,18,19,24)
InChIKeyHNWBKABTCQCHGB-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.36
Rot. Bonds4

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 26196541) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID26196541
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(=O)n(C)n2)nc1-c1ccccc1
InChIInChI=1S/C17H14N4O3S/c1-10(22)15-14(11-6-4-3-5-7-11)18-17(25-15)19-16(24)12-8-9-13(23)21(2)20-12/h3-9H,1-2H3,(H,18,19,24)
InChIKeyHNWBKABTCQCHGB-UHFFFAOYSA-N
XLogP2.36
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
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1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide
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1-methyl-6-oxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)pyridazine-3-carboxamide
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N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
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N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
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N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
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N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
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(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 26196541) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is CC(=O)c1sc(NC(=O)c2ccc(=O)n(C)n2)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is HNWBKABTCQCHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-10(22)15-14(11-6-4-3-5-7-11)18-17(25-15)19-16(24)12-8-9-13(23)21(2)20-12/h3-9H,1-2H3,(H,18,19,24).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 26196541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).