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

C22H26ClN5O3S — CID 87947482

IUPAC2-morpholin-4-yl-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCC(C)n1nc(-c2sc(NC(=O)CN3CCOCC3)nc2-c2ccccc2)ccc1=O.Cl
InChIInChI=1S/C22H25N5O3S.ClH/c1-15(2)27-19(29)9-8-17(25-27)21-20(16-6-4-3-5-7-16)24-22(31-21)23-18(28)14-26-10-12-30-13-11-26;/h3-9,15H,10-14H2,1-2H3,(H,23,24,28);1H
InChIKeyZWEWNGWJCVQGNQ-UHFFFAOYSA-N
MW476.00 g/mol
LogP3.31
Rot. Bonds6

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

2-morpholin-4-yl-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide;hydrochloride (PubChem CID 87947482) has the molecular formula C22H26ClN5O3S and a molecular weight of 476.00 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide;hydrochloride
PubChem CID87947482
Molecular FormulaC22H26ClN5O3S
Molecular Weight476.00 g/mol
Exact Mass475.14
IUPAC Name2-morpholin-4-yl-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCC(C)n1nc(-c2sc(NC(=O)CN3CCOCC3)nc2-c2ccccc2)ccc1=O.Cl
InChIInChI=1S/C22H25N5O3S.ClH/c1-15(2)27-19(29)9-8-17(25-27)21-20(16-6-4-3-5-7-16)24-22(31-21)23-18(28)14-26-10-12-30-13-11-26;/h3-9,15H,10-14H2,1-2H3,(H,23,24,28);1H
InChIKeyZWEWNGWJCVQGNQ-UHFFFAOYSA-N
XLogP3.31
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide;hydrochloride?
The IUPAC name of 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) is 2-morpholin-4-yl-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-morpholin-4-yl-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-morpholin-4-yl-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide;hydrochloride is CC(C)n1nc(-c2sc(NC(=O)CN3CCOCC3)nc2-c2ccccc2)ccc1=O.Cl.
What is the InChIKey of 2-morpholin-4-yl-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide;hydrochloride?
The InChIKey is ZWEWNGWJCVQGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S.ClH/c1-15(2)27-19(29)9-8-17(25-27)21-20(16-6-4-3-5-7-16)24-22(31-21)23-18(28)14-26-10-12-30-13-11-26;/h3-9,15H,10-14H2,1-2H3,(H,23,24,28);1H.
What are the key properties of 2-morpholin-4-yl-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide;hydrochloride?
2-morpholin-4-yl-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide;hydrochloride has a molecular weight of 476.00 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 87947482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).