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

C10H11N5O3S — CID 17016044

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCn2ccc(=O)[nH]c2=O)s1
InChIInChI=1S/C10H11N5O3S/c1-6-13-14-9(19-6)11-7(16)2-4-15-5-3-8(17)12-10(15)18/h3,5H,2,4H2,1H3,(H,11,14,16)(H,12,17,18)
InChIKeyGPNPYSOVMGMCTQ-UHFFFAOYSA-N
MW281.30 g/mol
LogP-0.27
Rot. Bonds4

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

3-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 17016044) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID17016044
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCn2ccc(=O)[nH]c2=O)s1
InChIInChI=1S/C10H11N5O3S/c1-6-13-14-9(19-6)11-7(16)2-4-15-5-3-8(17)12-10(15)18/h3,5H,2,4H2,1H3,(H,11,14,16)(H,12,17,18)
InChIKeyGPNPYSOVMGMCTQ-UHFFFAOYSA-N
XLogP-0.27
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 17016044) is 3-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)CCn2ccc(=O)[nH]c2=O)s1.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is GPNPYSOVMGMCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-6-13-14-9(19-6)11-7(16)2-4-15-5-3-8(17)12-10(15)18/h3,5H,2,4H2,1H3,(H,11,14,16)(H,12,17,18).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 281.30 g/mol, XLogP of -0.27, 4 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-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 17016044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).