N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide

C19H22N4O3S — CID 71840081

IUPACN-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2nc(C)c3sc(C(C)C)nc3c2=O)cc1
InChIInChI=1S/C19H22N4O3S/c1-11(2)18-21-16-17(27-18)12(3)22-23(19(16)25)10-15(24)20-9-13-5-7-14(26-4)8-6-13/h5-8,11H,9-10H2,1-4H3,(H,20,24)
InChIKeyWXCFSUKDOHMZCC-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.61
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide

N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (PubChem CID 71840081) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
PubChem CID71840081
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2nc(C)c3sc(C(C)C)nc3c2=O)cc1
InChIInChI=1S/C19H22N4O3S/c1-11(2)18-21-16-17(27-18)12(3)22-23(19(16)25)10-15(24)20-9-13-5-7-14(26-4)8-6-13/h5-8,11H,9-10H2,1-4H3,(H,20,24)
InChIKeyWXCFSUKDOHMZCC-UHFFFAOYSA-N
XLogP2.61
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-Acetylaminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 10044540
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 10253234
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide
CID 10364476
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654
4-ethoxy-N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}benzamide
CID 7207738
N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-4-methoxybenzamide
CID 7518131
5-benzyl-N-(2-(4-ethoxybenzamido)ethyl)-4-phenylthiazole-2-carboxamide
CID 46885246
5-Thiazolecarboxamide, N,4-dimethyl-2-(4-methoxyphenyl)-
CID 3068076
5-Thiazolecarboxamide, 2-(4-methoxyphenyl)-4-methyl-N-propyl-
CID 3068077
N1-(2-fluorophenyl)-N2-(2-(2-(4-methoxyphenyl)-4-methylthiazol-5-yl)ethyl)oxalamide
CID 7222987
N-{2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}thiophene-2-carboxamide
CID 7202380

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (CID 71840081) is N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is COc1ccc(CNC(=O)Cn2nc(C)c3sc(C(C)C)nc3c2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The InChIKey is WXCFSUKDOHMZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-11(2)18-21-16-17(27-18)12(3)22-23(19(16)25)10-15(24)20-9-13-5-7-14(26-4)8-6-13/h5-8,11H,9-10H2,1-4H3,(H,20,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide has a molecular weight of 386.48 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 71840081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).