N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide

C23H21N5OS2 — CID 16916887

IUPACN-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1cc(C)cc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)c1
InChIInChI=1S/C23H21N5OS2/c1-14-9-15(2)11-18(10-14)26-20(29)13-30-21-7-6-19(27-28-21)22-16(3)25-23(31-22)17-5-4-8-24-12-17/h4-12H,13H2,1-3H3,(H,26,29)
InChIKeyRIZCLPVHUQDVTR-UHFFFAOYSA-N
MW447.59 g/mol
LogP5.32
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide

N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 16916887) has the molecular formula C23H21N5OS2 and a molecular weight of 447.59 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID16916887
Molecular FormulaC23H21N5OS2
Molecular Weight447.59 g/mol
Exact Mass447.12
IUPAC NameN-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1cc(C)cc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)c1
InChIInChI=1S/C23H21N5OS2/c1-14-9-15(2)11-18(10-14)26-20(29)13-30-21-7-6-19(27-28-21)22-16(3)25-23(31-22)17-5-4-8-24-12-17/h4-12H,13H2,1-3H3,(H,26,29)
InChIKeyRIZCLPVHUQDVTR-UHFFFAOYSA-N
XLogP5.32
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.59
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (CID 16916887) is N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is Cc1cc(C)cc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is RIZCLPVHUQDVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS2/c1-14-9-15(2)11-18(10-14)26-20(29)13-30-21-7-6-19(27-28-21)22-16(3)25-23(31-22)17-5-4-8-24-12-17/h4-12H,13H2,1-3H3,(H,26,29).
What are the key properties of N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 447.59 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 16916887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).