2-(3-morpholin-4-ylpropylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide

C25H32N6O3S — CID 87947524

IUPAC2-(3-morpholin-4-ylpropylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCC(C)n1nc(-c2sc(NC(=O)CNCCCN3CCOCC3)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C25H32N6O3S/c1-18(2)31-22(33)10-9-20(29-31)24-23(19-7-4-3-5-8-19)28-25(35-24)27-21(32)17-26-11-6-12-30-13-15-34-16-14-30/h3-5,7-10,18,26H,6,11-17H2,1-2H3,(H,27,28,32)
InChIKeyDVTMUXQHNAJXDF-UHFFFAOYSA-N
MW496.64 g/mol
LogP2.87
Rot. Bonds10

About 2-(3-morpholin-4-ylpropylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide

2-(3-morpholin-4-ylpropylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide (PubChem CID 87947524) has the molecular formula C25H32N6O3S and a molecular weight of 496.64 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
PubChem CID87947524
Molecular FormulaC25H32N6O3S
Molecular Weight496.64 g/mol
Exact Mass496.23
IUPAC Name2-(3-morpholin-4-ylpropylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCC(C)n1nc(-c2sc(NC(=O)CNCCCN3CCOCC3)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C25H32N6O3S/c1-18(2)31-22(33)10-9-20(29-31)24-23(19-7-4-3-5-8-19)28-25(35-24)27-21(32)17-26-11-6-12-30-13-15-34-16-14-30/h3-5,7-10,18,26H,6,11-17H2,1-2H3,(H,27,28,32)
InChIKeyDVTMUXQHNAJXDF-UHFFFAOYSA-N
XLogP2.87
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.64
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-yl-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 87947482
2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 87947563
N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 87947426
6-[2-(tert-butylamino)-4-phenyl-1,3-thiazol-5-yl]-2-propan-2-ylpyridazin-3-one
CID 87947528
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]pentanamide
CID 108726837
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide
CID 108726888
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-morpholin-4-ylpropylamino)acetamide
CID 4636553
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 17163599
2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 42825392
N-(2-morpholin-4-ylethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053341
N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide
CID 174530805
[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 175254870

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-morpholin-4-ylpropylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide (CID 87947524) is 2-(3-morpholin-4-ylpropylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-morpholin-4-ylpropylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-morpholin-4-ylpropylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide is CC(C)n1nc(-c2sc(NC(=O)CNCCCN3CCOCC3)nc2-c2ccccc2)ccc1=O.
What is the InChIKey of 2-(3-morpholin-4-ylpropylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is DVTMUXQHNAJXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3S/c1-18(2)31-22(33)10-9-20(29-31)24-23(19-7-4-3-5-8-19)28-25(35-24)27-21(32)17-26-11-6-12-30-13-15-34-16-14-30/h3-5,7-10,18,26H,6,11-17H2,1-2H3,(H,27,28,32).
What are the key properties of 2-(3-morpholin-4-ylpropylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
2-(3-morpholin-4-ylpropylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 496.64 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87947524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).