1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one

C13H18N4O3S — CID 82526499

IUPAC1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
SMILESCOCCNc1nnc(-c2cccn(CCOC)c2=O)s1
InChIInChI=1S/C13H18N4O3S/c1-19-8-5-14-13-16-15-11(21-13)10-4-3-6-17(12(10)18)7-9-20-2/h3-4,6H,5,7-9H2,1-2H3,(H,14,16)
InChIKeyNQEHQOOSTUZKTQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.07
Rot. Bonds8

About 1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one

1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one (PubChem CID 82526499) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
PubChem CID82526499
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
SMILESCOCCNc1nnc(-c2cccn(CCOC)c2=O)s1
InChIInChI=1S/C13H18N4O3S/c1-19-8-5-14-13-16-15-11(21-13)10-4-3-6-17(12(10)18)7-9-20-2/h3-4,6H,5,7-9H2,1-2H3,(H,14,16)
InChIKeyNQEHQOOSTUZKTQ-UHFFFAOYSA-N
XLogP1.07
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526502
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526495
3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-1-pentylpyridin-2-one
CID 82526681
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526345
1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526817
1-(2-methoxyethyl)-3-(propan-2-ylamino)pyridin-2-one
CID 139373358
1-cyclohexyl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526401
1-(2-methoxyethyl)-3-nitropyridin-2-one
CID 89012682
5-(4-ethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 82428087
5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 4819058
3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526542
N-(2-methoxyethyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82433513

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one (CID 82526499) is 1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one is COCCNc1nnc(-c2cccn(CCOC)c2=O)s1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
The InChIKey is NQEHQOOSTUZKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-19-8-5-14-13-16-15-11(21-13)10-4-3-6-17(12(10)18)7-9-20-2/h3-4,6H,5,7-9H2,1-2H3,(H,14,16).
What are the key properties of 1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one has a molecular weight of 310.38 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one is sourced from PubChem (CID 82526499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).