N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide

C10H14N4O2S — CID 116787040

IUPACN-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H14N4O2S/c15-9-2-1-8(13-14-9)12-10(16)5-7-6-17-4-3-11-7/h1-2,7,11H,3-6H2,(H,14,15)(H,12,13,16)
InChIKeyUNTFZFPAFWWQKE-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.20
Rot. Bonds3

About N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide

N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 116787040) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID116787040
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC NameN-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H14N4O2S/c15-9-2-1-8(13-14-9)12-10(16)5-7-6-17-4-3-11-7/h1-2,7,11H,3-6H2,(H,14,15)(H,12,13,16)
InChIKeyUNTFZFPAFWWQKE-UHFFFAOYSA-N
XLogP-0.20
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66420730
N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66421005
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119941368
N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 114110925
N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 106417266
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate
CID 119936369
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939508
N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420642
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
CID 66420511

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide (CID 116787040) is N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1ccc(=O)[nH]n1.
What is the InChIKey of N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is UNTFZFPAFWWQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c15-9-2-1-8(13-14-9)12-10(16)5-7-6-17-4-3-11-7/h1-2,7,11H,3-6H2,(H,14,15)(H,12,13,16).
What are the key properties of N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide?
N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 254.31 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 116787040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).