1-butyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide

C13H16N4O2S — CID 31288577

IUPAC1-butyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)/N=c2\sccn2C)ccc1=O
InChIInChI=1S/C13H16N4O2S/c1-3-4-7-17-11(18)6-5-10(15-17)12(19)14-13-16(2)8-9-20-13/h5-6,8-9H,3-4,7H2,1-2H3/b14-13-
InChIKeyLNTAAYFOAPNCDC-YPKPFQOOSA-N
MW292.36 g/mol
LogP1.18
Rot. Bonds4

About 1-butyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide

1-butyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide (PubChem CID 31288577) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-butyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide
PubChem CID31288577
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name1-butyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)/N=c2\sccn2C)ccc1=O
InChIInChI=1S/C13H16N4O2S/c1-3-4-7-17-11(18)6-5-10(15-17)12(19)14-13-16(2)8-9-20-13/h5-6,8-9H,3-4,7H2,1-2H3/b14-13-
InChIKeyLNTAAYFOAPNCDC-YPKPFQOOSA-N
XLogP1.18
TPSA69.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-butyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-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-butyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide (CID 31288577) is 1-butyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)/N=c2\sccn2C)ccc1=O.
What is the InChIKey of 1-butyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide?
The InChIKey is LNTAAYFOAPNCDC-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-4-7-17-11(18)6-5-10(15-17)12(19)14-13-16(2)8-9-20-13/h5-6,8-9H,3-4,7H2,1-2H3/b14-13-.
What are the key properties of 1-butyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 31288577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).