3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

C13H17N5O3S — CID 74912540

IUPAC3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCC2C(=O)N(C)C(=O)N=C2C)s1
InChIInChI=1S/C13H17N5O3S/c1-4-10-16-17-12(22-10)15-9(19)6-5-8-7(2)14-13(21)18(3)11(8)20/h8H,4-6H2,1-3H3,(H,15,17,19)
InChIKeyCFHBCJXHPAIPQB-UHFFFAOYSA-N
MW323.38 g/mol
LogP1.49
Rot. Bonds5

About 3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 74912540) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is 3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID74912540
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC Name3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCC2C(=O)N(C)C(=O)N=C2C)s1
InChIInChI=1S/C13H17N5O3S/c1-4-10-16-17-12(22-10)15-9(19)6-5-8-7(2)14-13(21)18(3)11(8)20/h8H,4-6H2,1-3H3,(H,15,17,19)
InChIKeyCFHBCJXHPAIPQB-UHFFFAOYSA-N
XLogP1.49
TPSA104.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide 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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093494
3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 124757749
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)propanamide
CID 91833836
ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787271
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19242019
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17452434
N-(4-chlorophenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1400163
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 124755959
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide
CID 4044677
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 50875779

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 74912540) is 3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1nnc(NC(=O)CCC2C(=O)N(C)C(=O)N=C2C)s1.
What is the InChIKey of 3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is CFHBCJXHPAIPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-4-10-16-17-12(22-10)15-9(19)6-5-8-7(2)14-13(21)18(3)11(8)20/h8H,4-6H2,1-3H3,(H,15,17,19).
What are the key properties of 3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 323.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethyl-2,6-dioxo-5H-pyrimidin-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 74912540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).