3-(2,4-dioxopyrimidin-1-yl)-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide

C14H19N5O3S — CID 50976613

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCC(C)c1nnc(NC(=O)CCn2ccc(=O)[nH]c2=O)s1
InChIInChI=1S/C14H19N5O3S/c1-3-4-9(2)12-17-18-13(23-12)15-10(20)5-7-19-8-6-11(21)16-14(19)22/h6,8-9H,3-5,7H2,1-2H3,(H,15,18,20)(H,16,21,22)
InChIKeyCBUGCUWSBYWYIN-UHFFFAOYSA-N
MW337.41 g/mol
LogP1.32
Rot. Bonds7

About 3-(2,4-dioxopyrimidin-1-yl)-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 50976613) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID50976613
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCC(C)c1nnc(NC(=O)CCn2ccc(=O)[nH]c2=O)s1
InChIInChI=1S/C14H19N5O3S/c1-3-4-9(2)12-17-18-13(23-12)15-10(20)5-7-19-8-6-11(21)16-14(19)22/h6,8-9H,3-5,7H2,1-2H3,(H,15,18,20)(H,16,21,22)
InChIKeyCBUGCUWSBYWYIN-UHFFFAOYSA-N
XLogP1.32
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(2,4-dioxopyrimidin-1-yl)-N-(5-pentan-2-yl-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

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 50976613) is 3-(2,4-dioxopyrimidin-1-yl)-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide is CCCC(C)c1nnc(NC(=O)CCn2ccc(=O)[nH]c2=O)s1.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is CBUGCUWSBYWYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-3-4-9(2)12-17-18-13(23-12)15-10(20)5-7-19-8-6-11(21)16-14(19)22/h6,8-9H,3-5,7H2,1-2H3,(H,15,18,20)(H,16,21,22).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 337.41 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 50976613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).