1-methyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide

C15H20N4O2S — CID 51106287

IUPAC1-methyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCCc2nc3c(s2)CCCC3)CCC1=O
InChIInChI=1S/C15H20N4O2S/c1-19-14(20)7-6-11(18-19)15(21)16-9-8-13-17-10-4-2-3-5-12(10)22-13/h2-9H2,1H3,(H,16,21)
InChIKeyXCYYKYWMOMLQTO-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.29
Rot. Bonds4

About 1-methyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide

1-methyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 51106287) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID51106287
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-methyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCCc2nc3c(s2)CCCC3)CCC1=O
InChIInChI=1S/C15H20N4O2S/c1-19-14(20)7-6-11(18-19)15(21)16-9-8-13-17-10-4-2-3-5-12(10)22-13/h2-9H2,1H3,(H,16,21)
InChIKeyXCYYKYWMOMLQTO-UHFFFAOYSA-N
XLogP1.29
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide (CID 51106287) is 1-methyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NCCc2nc3c(s2)CCCC3)CCC1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is XCYYKYWMOMLQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-19-14(20)7-6-11(18-19)15(21)16-9-8-13-17-10-4-2-3-5-12(10)22-13/h2-9H2,1H3,(H,16,21).
What are the key properties of 1-methyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide?
1-methyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 51106287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).