N-(2,6-dimethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide

C24H25N5O2S2 — CID 30836671

IUPACN-(2,6-dimethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1nc(-c2cccs2)c2sc(N3CCCCC3)nc2c1=O
InChIInChI=1S/C24H25N5O2S2/c1-15-8-6-9-16(2)19(15)25-18(30)14-29-23(31)21-22(20(27-29)17-10-7-13-32-17)33-24(26-21)28-11-4-3-5-12-28/h6-10,13H,3-5,11-12,14H2,1-2H3,(H,25,30)
InChIKeyPBUZPSCOJQIQGP-UHFFFAOYSA-N
MW479.63 g/mol
LogP4.83
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide

N-(2,6-dimethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (PubChem CID 30836671) has the molecular formula C24H25N5O2S2 and a molecular weight of 479.63 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
PubChem CID30836671
Molecular FormulaC24H25N5O2S2
Molecular Weight479.63 g/mol
Exact Mass479.14
IUPAC NameN-(2,6-dimethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1nc(-c2cccs2)c2sc(N3CCCCC3)nc2c1=O
InChIInChI=1S/C24H25N5O2S2/c1-15-8-6-9-16(2)19(15)25-18(30)14-29-23(31)21-22(20(27-29)17-10-7-13-32-17)33-24(26-21)28-11-4-3-5-12-28/h6-10,13H,3-5,11-12,14H2,1-2H3,(H,25,30)
InChIKeyPBUZPSCOJQIQGP-UHFFFAOYSA-N
XLogP4.83
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (CID 30836671) is N-(2,6-dimethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is Cc1cccc(C)c1NC(=O)Cn1nc(-c2cccs2)c2sc(N3CCCCC3)nc2c1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The InChIKey is PBUZPSCOJQIQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S2/c1-15-8-6-9-16(2)19(15)25-18(30)14-29-23(31)21-22(20(27-29)17-10-7-13-32-17)33-24(26-21)28-11-4-3-5-12-28/h6-10,13H,3-5,11-12,14H2,1-2H3,(H,25,30).
What are the key properties of N-(2,6-dimethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
N-(2,6-dimethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide has a molecular weight of 479.63 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 30836671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).