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

C18H12Cl2N4O2S2 — CID 16906716

IUPACN-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCc1nc2c(=O)n(CC(=O)Nc3ccc(Cl)c(Cl)c3)nc(-c3cccs3)c2s1
InChIInChI=1S/C18H12Cl2N4O2S2/c1-9-21-16-17(28-9)15(13-3-2-6-27-13)23-24(18(16)26)8-14(25)22-10-4-5-11(19)12(20)7-10/h2-7H,8H2,1H3,(H,22,25)
InChIKeyBSNRLZSRINRDRA-UHFFFAOYSA-N
MW451.36 g/mol
LogP4.84
Rot. Bonds4

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

N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (PubChem CID 16906716) has the molecular formula C18H12Cl2N4O2S2 and a molecular weight of 451.36 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
PubChem CID16906716
Molecular FormulaC18H12Cl2N4O2S2
Molecular Weight451.36 g/mol
Exact Mass449.98
IUPAC NameN-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCc1nc2c(=O)n(CC(=O)Nc3ccc(Cl)c(Cl)c3)nc(-c3cccs3)c2s1
InChIInChI=1S/C18H12Cl2N4O2S2/c1-9-21-16-17(28-9)15(13-3-2-6-27-13)23-24(18(16)26)8-14(25)22-10-4-5-11(19)12(20)7-10/h2-7H,8H2,1H3,(H,22,25)
InChIKeyBSNRLZSRINRDRA-UHFFFAOYSA-N
XLogP4.84
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (CID 16906716) is N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is Cc1nc2c(=O)n(CC(=O)Nc3ccc(Cl)c(Cl)c3)nc(-c3cccs3)c2s1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The InChIKey is BSNRLZSRINRDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O2S2/c1-9-21-16-17(28-9)15(13-3-2-6-27-13)23-24(18(16)26)8-14(25)22-10-4-5-11(19)12(20)7-10/h2-7H,8H2,1H3,(H,22,25).
What are the key properties of N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide has a molecular weight of 451.36 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 16906716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).