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

C23H18N6OS3 — CID 16916933

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccc2nc(NC(=O)CSc3ccc(-c4sc(-c5cccnc5)nc4C)nn3)sc2c1
InChIInChI=1S/C23H18N6OS3/c1-13-5-6-16-18(10-13)32-23(26-16)27-19(30)12-31-20-8-7-17(28-29-20)21-14(2)25-22(33-21)15-4-3-9-24-11-15/h3-11H,12H2,1-2H3,(H,26,27,30)
InChIKeyYXSAGTDWFNVRFN-UHFFFAOYSA-N
MW490.64 g/mol
LogP5.62
Rot. Bonds6

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

N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 16916933) has the molecular formula C23H18N6OS3 and a molecular weight of 490.64 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID16916933
Molecular FormulaC23H18N6OS3
Molecular Weight490.64 g/mol
Exact Mass490.07
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccc2nc(NC(=O)CSc3ccc(-c4sc(-c5cccnc5)nc4C)nn3)sc2c1
InChIInChI=1S/C23H18N6OS3/c1-13-5-6-16-18(10-13)32-23(26-16)27-19(30)12-31-20-8-7-17(28-29-20)21-14(2)25-22(33-21)15-4-3-9-24-11-15/h3-11H,12H2,1-2H3,(H,26,27,30)
InChIKeyYXSAGTDWFNVRFN-UHFFFAOYSA-N
XLogP5.62
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.64
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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CID 25182020
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CID 25182146
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CID 25182285
CID 25182285
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CID 25182424
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CID 25182427
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CID 25182709
CID 25182709

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (CID 16916933) is N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is Cc1ccc2nc(NC(=O)CSc3ccc(-c4sc(-c5cccnc5)nc4C)nn3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is YXSAGTDWFNVRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6OS3/c1-13-5-6-16-18(10-13)32-23(26-16)27-19(30)12-31-20-8-7-17(28-29-20)21-14(2)25-22(33-21)15-4-3-9-24-11-15/h3-11H,12H2,1-2H3,(H,26,27,30).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 490.64 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 16916933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).