[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate

C15H18N4O4S — CID 18084954

IUPAC[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
SMILESCCCCn1nc(C(=O)OCC(=O)Nc2nc(C)cs2)ccc1=O
InChIInChI=1S/C15H18N4O4S/c1-3-4-7-19-13(21)6-5-11(18-19)14(22)23-8-12(20)17-15-16-10(2)9-24-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17,20)
InChIKeyYYQAQAFEXZCSCF-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.60
Rot. Bonds7

About [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate

[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate (PubChem CID 18084954) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
PubChem CID18084954
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
SMILESCCCCn1nc(C(=O)OCC(=O)Nc2nc(C)cs2)ccc1=O
InChIInChI=1S/C15H18N4O4S/c1-3-4-7-19-13(21)6-5-11(18-19)14(22)23-8-12(20)17-15-16-10(2)9-24-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17,20)
InChIKeyYYQAQAFEXZCSCF-UHFFFAOYSA-N
XLogP1.60
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate with MolForge

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 30682315
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 32799796
[2-(cyclopentylamino)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 18080240
(2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate
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[2-[(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 39605922
[2-(4-butylphenyl)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 55310829
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18081052
(2-oxo-2-phenothiazin-10-ylethyl) 1-butyl-6-oxopyridazine-3-carboxylate
CID 30695655
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 30695777
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18201993
[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18104073
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7662459

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate (CID 18084954) is [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate is CCCCn1nc(C(=O)OCC(=O)Nc2nc(C)cs2)ccc1=O.
What is the InChIKey of [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate?
The InChIKey is YYQAQAFEXZCSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-3-4-7-19-13(21)6-5-11(18-19)14(22)23-8-12(20)17-15-16-10(2)9-24-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17,20).
What are the key properties of [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate?
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate has a molecular weight of 350.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 18084954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).