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

C13H18N4O2S — CID 82526502

IUPAC1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
SMILESCCCNc1nnc(-c2cccn(CCOC)c2=O)s1
InChIInChI=1S/C13H18N4O2S/c1-3-6-14-13-16-15-11(20-13)10-5-4-7-17(12(10)18)8-9-19-2/h4-5,7H,3,6,8-9H2,1-2H3,(H,14,16)
InChIKeySMSVBGZBXYHBQH-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.84
Rot. Bonds7

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

1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one (PubChem CID 82526502) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
PubChem CID82526502
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
SMILESCCCNc1nnc(-c2cccn(CCOC)c2=O)s1
InChIInChI=1S/C13H18N4O2S/c1-3-6-14-13-16-15-11(20-13)10-5-4-7-17(12(10)18)8-9-19-2/h4-5,7H,3,6,8-9H2,1-2H3,(H,14,16)
InChIKeySMSVBGZBXYHBQH-UHFFFAOYSA-N
XLogP1.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2-methoxyethyl)-3-[5-(propylamino)-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-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526499
3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-1-pentylpyridin-2-one
CID 82526681
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526495
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
N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79102768
1-cyclohexyl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526401
5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 61037923
N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617567
5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 61037154
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-pentylpyridin-2-one
CID 82526675
1-(2-methoxyethyl)-3-(propan-2-ylamino)pyridin-2-one
CID 139373358

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one (CID 82526502) is 1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one is CCCNc1nnc(-c2cccn(CCOC)c2=O)s1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
The InChIKey is SMSVBGZBXYHBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-6-14-13-16-15-11(20-13)10-5-4-7-17(12(10)18)8-9-19-2/h4-5,7H,3,6,8-9H2,1-2H3,(H,14,16).
What are the key properties of 1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one has a molecular weight of 294.38 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[5-(propylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one is sourced from PubChem (CID 82526502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).