N-(furan-2-ylmethyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide

C21H18N4O2S2 — CID 18572857

IUPACN-(furan-2-ylmethyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)NCc2ccco2)nn1
InChIInChI=1S/C21H18N4O2S2/c1-14-20(29-21(23-14)15-6-3-2-4-7-15)17-9-10-19(25-24-17)28-13-18(26)22-12-16-8-5-11-27-16/h2-11H,12-13H2,1H3,(H,22,26)
InChIKeyKWSOTBDQJOZMTG-UHFFFAOYSA-N
MW422.54 g/mol
LogP4.58
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide

N-(furan-2-ylmethyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 18572857) has the molecular formula C21H18N4O2S2 and a molecular weight of 422.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID18572857
Molecular FormulaC21H18N4O2S2
Molecular Weight422.54 g/mol
Exact Mass422.09
IUPAC NameN-(furan-2-ylmethyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)NCc2ccco2)nn1
InChIInChI=1S/C21H18N4O2S2/c1-14-20(29-21(23-14)15-6-3-2-4-7-15)17-9-10-19(25-24-17)28-13-18(26)22-12-16-8-5-11-27-16/h2-11H,12-13H2,1H3,(H,22,26)
InChIKeyKWSOTBDQJOZMTG-UHFFFAOYSA-N
XLogP4.58
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92687611
N-[(2-chlorophenyl)methyl]-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916971
N-(furan-2-ylmethyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7254174
N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 1263321
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18156517
N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 4218299
2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18562749
2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16916934
N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916887
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
2-[[4-[(2S)-butan-2-yl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 52509273
N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916908

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (CID 18572857) is N-(furan-2-ylmethyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)NCc2ccco2)nn1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is KWSOTBDQJOZMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S2/c1-14-20(29-21(23-14)15-6-3-2-4-7-15)17-9-10-19(25-24-17)28-13-18(26)22-12-16-8-5-11-27-16/h2-11H,12-13H2,1H3,(H,22,26).
What are the key properties of N-(furan-2-ylmethyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
N-(furan-2-ylmethyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 422.54 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 18572857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).