2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide

C18H19N5O2S — CID 29000911

IUPAC2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCN(C)c1cnn(CC(=O)NCc2nc(-c3ccccc3)cs2)c(=O)c1
InChIInChI=1S/C18H19N5O2S/c1-22(2)14-8-18(25)23(20-9-14)11-16(24)19-10-17-21-15(12-26-17)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,19,24)
InChIKeyCEWYHLFABYMDIU-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.75
Rot. Bonds6

About 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide

2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 29000911) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID29000911
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCN(C)c1cnn(CC(=O)NCc2nc(-c3ccccc3)cs2)c(=O)c1
InChIInChI=1S/C18H19N5O2S/c1-22(2)14-8-18(25)23(20-9-14)11-16(24)19-10-17-21-15(12-26-17)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,19,24)
InChIKeyCEWYHLFABYMDIU-UHFFFAOYSA-N
XLogP1.75
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55841798
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CID 112841601
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[furan-2-yl(phenyl)methyl]acetamide
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N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide
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2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide
CID 29105698
4-acetyl-1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide
CID 71938352
3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide
CID 60556784
4-(dimethylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 86804654
4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
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4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
CID 55842691
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55663551
1-(2-hydroxyethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylurea
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide (CID 29000911) is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide is CN(C)c1cnn(CC(=O)NCc2nc(-c3ccccc3)cs2)c(=O)c1.
What is the InChIKey of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is CEWYHLFABYMDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-22(2)14-8-18(25)23(20-9-14)11-16(24)19-10-17-21-15(12-26-17)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,19,24).
What are the key properties of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide?
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 369.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 29000911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).