2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

C12H9N5O3S — CID 56761226

IUPAC2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nncs1
InChIInChI=1S/C12H9N5O3S/c18-10(14-12-15-13-7-21-12)6-17-11(19)4-3-8(16-17)9-2-1-5-20-9/h1-5,7H,6H2,(H,14,15,18)
InChIKeyNBUOCQXPWFRLOW-UHFFFAOYSA-N
MW303.30 g/mol
LogP0.99
Rot. Bonds4

About 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 56761226) has the molecular formula C12H9N5O3S and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID56761226
Molecular FormulaC12H9N5O3S
Molecular Weight303.30 g/mol
Exact Mass303.04
IUPAC Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nncs1
InChIInChI=1S/C12H9N5O3S/c18-10(14-12-15-13-7-21-12)6-17-11(19)4-3-8(16-17)9-2-1-5-20-9/h1-5,7H,6H2,(H,14,15,18)
InChIKeyNBUOCQXPWFRLOW-UHFFFAOYSA-N
XLogP0.99
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)acetamide
CID 49671262
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 36106953
2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 7659463
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 7659464
(E)-3-(furan-2-yl)-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]prop-2-enamide
CID 36106977
(E)-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 36145162
(E)-N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 36145369
3-[3-(furan-2-yl)prop-2-enoylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 47172668
3-(furan-2-yl)-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]prop-2-enamide
CID 47172737
2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)-N-(5-(tetrahydrofuran-2-yl)-1,3,4-thiadiazol-2-yl)acetamide
CID 56761094
2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56761942
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 56761997

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 56761226) is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nncs1.
What is the InChIKey of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is NBUOCQXPWFRLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O3S/c18-10(14-12-15-13-7-21-12)6-17-11(19)4-3-8(16-17)9-2-1-5-20-9/h1-5,7H,6H2,(H,14,15,18).
What are the key properties of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 303.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 56761226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).