N-(2-morpholin-4-ylethyl)-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide

C14H18N4O3S — CID 20876646

IUPACN-(2-morpholin-4-ylethyl)-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide
SMILESO=C(Cn1ncc2ccsc2c1=O)NCCN1CCOCC1
InChIInChI=1S/C14H18N4O3S/c19-12(15-2-3-17-4-6-21-7-5-17)10-18-14(20)13-11(9-16-18)1-8-22-13/h1,8-9H,2-7,10H2,(H,15,19)
InChIKeyFISCIKFWAPEHTJ-UHFFFAOYSA-N
MW322.39 g/mol
LogP-0.09
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide

N-(2-morpholin-4-ylethyl)-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide (PubChem CID 20876646) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide
PubChem CID20876646
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide
SMILESO=C(Cn1ncc2ccsc2c1=O)NCCN1CCOCC1
InChIInChI=1S/C14H18N4O3S/c19-12(15-2-3-17-4-6-21-7-5-17)10-18-14(20)13-11(9-16-18)1-8-22-13/h1,8-9H,2-7,10H2,(H,15,19)
InChIKeyFISCIKFWAPEHTJ-UHFFFAOYSA-N
XLogP-0.09
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide (CID 20876646) is N-(2-morpholin-4-ylethyl)-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide is O=C(Cn1ncc2ccsc2c1=O)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide?
The InChIKey is FISCIKFWAPEHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c19-12(15-2-3-17-4-6-21-7-5-17)10-18-14(20)13-11(9-16-18)1-8-22-13/h1,8-9H,2-7,10H2,(H,15,19).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide?
N-(2-morpholin-4-ylethyl)-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide has a molecular weight of 322.39 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(7-oxothieno[2,3-d]pyridazin-6-yl)acetamide is sourced from PubChem (CID 20876646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).