2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid

C11H13N3O3S — CID 113352819

IUPAC2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)c1ccnnc1
InChIInChI=1S/C11H13N3O3S/c15-10(16)5-9-7-18-4-3-14(9)11(17)8-1-2-12-13-6-8/h1-2,6,9H,3-5,7H2,(H,15,16)
InChIKeyKGNUUXPMJRHCMV-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.51
Rot. Bonds3

About 2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid

2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid (PubChem CID 113352819) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid
PubChem CID113352819
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)c1ccnnc1
InChIInChI=1S/C11H13N3O3S/c15-10(16)5-9-7-18-4-3-14(9)11(17)8-1-2-12-13-6-8/h1-2,6,9H,3-5,7H2,(H,15,16)
InChIKeyKGNUUXPMJRHCMV-UHFFFAOYSA-N
XLogP0.51
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-dichlorobenzoyl)thiomorpholin-3-yl]acetic acid
CID 66445224
2-[4-(3,5-dihydroxybenzoyl)thiomorpholin-3-yl]acetic acid
CID 107702692
2-[1-(pyridazine-4-carbonyl)piperidin-2-yl]acetic acid
CID 112640151
2-[4-(3,5-dibromobenzoyl)thiomorpholin-3-yl]acetic acid
CID 107971553
2-[4-(6-phenoxypyridine-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 120520635
2-[4-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]thiomorpholin-3-yl]acetic acid
CID 120520631
2-[1,1-dioxo-4-(pyridazine-4-carbonyl)-1,4-thiazinan-3-yl]acetic acid
CID 104669846
2-[4-[4-(2-oxoimidazolidin-1-yl)benzoyl]thiomorpholin-3-yl]acetic acid
CID 119210102
2-[4-[4-(difluoromethoxy)benzoyl]thiomorpholin-3-yl]acetic acid
CID 119211027
2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid
CID 103790667
2-[4-[4-(3,3,3-trifluoropropyl)benzoyl]thiomorpholin-3-yl]acetic acid
CID 120520719
2-[4-(2-butan-2-yloxypyridine-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 120520600

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid (CID 113352819) is 2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1C(=O)c1ccnnc1.
What is the InChIKey of 2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid?
The InChIKey is KGNUUXPMJRHCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c15-10(16)5-9-7-18-4-3-14(9)11(17)8-1-2-12-13-6-8/h1-2,6,9H,3-5,7H2,(H,15,16).
What are the key properties of 2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid?
2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid has a molecular weight of 267.31 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 113352819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).