benzyl 2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetate

C18H15N3O3S2 — CID 42139423

IUPACbenzyl 2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetate
SMILESO=C(CSc1ccc(NC(=O)c2cccs2)nn1)OCc1ccccc1
InChIInChI=1S/C18H15N3O3S2/c22-17(24-11-13-5-2-1-3-6-13)12-26-16-9-8-15(20-21-16)19-18(23)14-7-4-10-25-14/h1-10H,11-12H2,(H,19,20,23)
InChIKeyRVIPMKAKUHXTEM-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.63
Rot. Bonds7

About benzyl 2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetate

benzyl 2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetate (PubChem CID 42139423) has the molecular formula C18H15N3O3S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is benzyl 2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetate.

Molecular Properties

Compound Namebenzyl 2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetate
PubChem CID42139423
Molecular FormulaC18H15N3O3S2
Molecular Weight385.47 g/mol
Exact Mass385.06
IUPAC Namebenzyl 2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetate
SMILESO=C(CSc1ccc(NC(=O)c2cccs2)nn1)OCc1ccccc1
InChIInChI=1S/C18H15N3O3S2/c22-17(24-11-13-5-2-1-3-6-13)12-26-16-9-8-15(20-21-16)19-18(23)14-7-4-10-25-14/h1-10H,11-12H2,(H,19,20,23)
InChIKeyRVIPMKAKUHXTEM-UHFFFAOYSA-N
XLogP3.63
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide
CID 42111617
N-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide
CID 42139496
benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate
CID 27711279
N-[6-(1-phenylethylamino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113041166
N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide
CID 113043097
benzyl 4-oxo-4-thiophen-2-ylbutanoate
CID 2358378
benzyl 2-quinolin-2-ylsulfanylacetate
CID 27240915
benzyl 2-[[5-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 17369513
N-(6-morpholin-4-ylpyridazin-3-yl)thiophene-2-carboxamide
CID 113039647
benzyl 2-[[3-(2-benzamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetate
CID 18562867
N-[6-(3,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050851
N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047251

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetate?
The IUPAC name of benzyl 2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetate (CID 42139423) is benzyl 2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetate.
What is the SMILES notation for benzyl 2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetate?
The canonical SMILES for benzyl 2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetate is O=C(CSc1ccc(NC(=O)c2cccs2)nn1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetate?
The InChIKey is RVIPMKAKUHXTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S2/c22-17(24-11-13-5-2-1-3-6-13)12-26-16-9-8-15(20-21-16)19-18(23)14-7-4-10-25-14/h1-10H,11-12H2,(H,19,20,23).
What are the key properties of benzyl 2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetate?
benzyl 2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetate has a molecular weight of 385.47 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetate is sourced from PubChem (CID 42139423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).