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

C14H11ClN4O2S — CID 16802305

IUPAC2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCc1nc2c(=O)n(CC(N)=O)nc(-c3ccc(Cl)cc3)c2s1
InChIInChI=1S/C14H11ClN4O2S/c1-7-17-12-13(22-7)11(8-2-4-9(15)5-3-8)18-19(14(12)21)6-10(16)20/h2-5H,6H2,1H3,(H2,16,20)
InChIKeyVVTCBGRVWSMSSQ-UHFFFAOYSA-N
MW334.79 g/mol
LogP1.97
Rot. Bonds3

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

2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (PubChem CID 16802305) has the molecular formula C14H11ClN4O2S and a molecular weight of 334.79 g/mol. Its IUPAC name is 2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.

Molecular Properties

Compound Name2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
PubChem CID16802305
Molecular FormulaC14H11ClN4O2S
Molecular Weight334.79 g/mol
Exact Mass334.03
IUPAC Name2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCc1nc2c(=O)n(CC(N)=O)nc(-c3ccc(Cl)cc3)c2s1
InChIInChI=1S/C14H11ClN4O2S/c1-7-17-12-13(22-7)11(8-2-4-9(15)5-3-8)18-19(14(12)21)6-10(16)20/h2-5H,6H2,1H3,(H2,16,20)
InChIKeyVVTCBGRVWSMSSQ-UHFFFAOYSA-N
XLogP1.97
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The IUPAC name of 2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (CID 16802305) is 2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.
What is the SMILES notation for 2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The canonical SMILES for 2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is Cc1nc2c(=O)n(CC(N)=O)nc(-c3ccc(Cl)cc3)c2s1.
What is the InChIKey of 2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The InChIKey is VVTCBGRVWSMSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2S/c1-7-17-12-13(22-7)11(8-2-4-9(15)5-3-8)18-19(14(12)21)6-10(16)20/h2-5H,6H2,1H3,(H2,16,20).
What are the key properties of 2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide has a molecular weight of 334.79 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is sourced from PubChem (CID 16802305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).