N-[(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-2-[7-oxo-4-propan-2-yl-2-(propan-2-ylamino)thieno[2,3-d]pyridazin-6-yl]acetamide;propane

C24H37N5O2S — CID 168979862

IUPACN-[(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-2-[7-oxo-4-propan-2-yl-2-(propan-2-ylamino)thieno[2,3-d]pyridazin-6-yl]acetamide;propane
SMILESC/C=C\C=N/C(=C/C)NC(=O)Cn1nc(C(C)C)c2cc(NC(C)C)sc2c1=O.CCC
InChIInChI=1S/C21H29N5O2S.C3H8/c1-7-9-10-22-16(8-2)24-17(27)12-26-21(28)20-15(19(25-26)13(3)4)11-18(29-20)23-14(5)6;1-3-2/h7-11,13-14,23H,12H2,1-6H3,(H,24,27);3H2,1-2H3/b9-7-,16-8-,22-10-;
InChIKeyNMLTTYNBIPKHIF-XDJGFCKMSA-N
MW459.66 g/mol
LogP5.44
Rot. Bonds8

About N-[(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-2-[7-oxo-4-propan-2-yl-2-(propan-2-ylamino)thieno[2,3-d]pyridazin-6-yl]acetamide;propane

N-[(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-2-[7-oxo-4-propan-2-yl-2-(propan-2-ylamino)thieno[2,3-d]pyridazin-6-yl]acetamide;propane (PubChem CID 168979862) has the molecular formula C24H37N5O2S and a molecular weight of 459.66 g/mol. Its IUPAC name is N-[(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-2-[7-oxo-4-propan-2-yl-2-(propan-2-ylamino)thieno[2,3-d]pyridazin-6-yl]acetamide;propane.

Molecular Properties

Compound NameN-[(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-2-[7-oxo-4-propan-2-yl-2-(propan-2-ylamino)thieno[2,3-d]pyridazin-6-yl]acetamide;propane
PubChem CID168979862
Molecular FormulaC24H37N5O2S
Molecular Weight459.66 g/mol
Exact Mass459.27
IUPAC NameN-[(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-2-[7-oxo-4-propan-2-yl-2-(propan-2-ylamino)thieno[2,3-d]pyridazin-6-yl]acetamide;propane
SMILESC/C=C\C=N/C(=C/C)NC(=O)Cn1nc(C(C)C)c2cc(NC(C)C)sc2c1=O.CCC
InChIInChI=1S/C21H29N5O2S.C3H8/c1-7-9-10-22-16(8-2)24-17(27)12-26-21(28)20-15(19(25-26)13(3)4)11-18(29-20)23-14(5)6;1-3-2/h7-11,13-14,23H,12H2,1-6H3,(H,24,27);3H2,1-2H3/b9-7-,16-8-,22-10-;
InChIKeyNMLTTYNBIPKHIF-XDJGFCKMSA-N
XLogP5.44
TPSA88.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.66
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-2-[7-oxo-4-propan-2-yl-2-(propan-2-ylamino)thieno[2,3-d]pyridazin-6-yl]acetamide;propane 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 N-[(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-2-[7-oxo-4-propan-2-yl-2-(propan-2-ylamino)thieno[2,3-d]pyridazin-6-yl]acetamide;propane?
The IUPAC name of N-[(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-2-[7-oxo-4-propan-2-yl-2-(propan-2-ylamino)thieno[2,3-d]pyridazin-6-yl]acetamide;propane (CID 168979862) is N-[(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-2-[7-oxo-4-propan-2-yl-2-(propan-2-ylamino)thieno[2,3-d]pyridazin-6-yl]acetamide;propane.
What is the SMILES notation for N-[(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-2-[7-oxo-4-propan-2-yl-2-(propan-2-ylamino)thieno[2,3-d]pyridazin-6-yl]acetamide;propane?
The canonical SMILES for N-[(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-2-[7-oxo-4-propan-2-yl-2-(propan-2-ylamino)thieno[2,3-d]pyridazin-6-yl]acetamide;propane is C/C=C\C=N/C(=C/C)NC(=O)Cn1nc(C(C)C)c2cc(NC(C)C)sc2c1=O.CCC.
What is the InChIKey of N-[(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-2-[7-oxo-4-propan-2-yl-2-(propan-2-ylamino)thieno[2,3-d]pyridazin-6-yl]acetamide;propane?
The InChIKey is NMLTTYNBIPKHIF-XDJGFCKMSA-N. The full InChI is InChI=1S/C21H29N5O2S.C3H8/c1-7-9-10-22-16(8-2)24-17(27)12-26-21(28)20-15(19(25-26)13(3)4)11-18(29-20)23-14(5)6;1-3-2/h7-11,13-14,23H,12H2,1-6H3,(H,24,27);3H2,1-2H3/b9-7-,16-8-,22-10-;.
What are the key properties of N-[(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-2-[7-oxo-4-propan-2-yl-2-(propan-2-ylamino)thieno[2,3-d]pyridazin-6-yl]acetamide;propane?
N-[(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-2-[7-oxo-4-propan-2-yl-2-(propan-2-ylamino)thieno[2,3-d]pyridazin-6-yl]acetamide;propane has a molecular weight of 459.66 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-2-[7-oxo-4-propan-2-yl-2-(propan-2-ylamino)thieno[2,3-d]pyridazin-6-yl]acetamide;propane is sourced from PubChem (CID 168979862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).