N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-thiophen-2-ylacetamide

C12H13N3O3S — CID 2148448

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-thiophen-2-ylacetamide
SMILESCn1c(NC(=O)Cc2cccs2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H13N3O3S/c1-14-9(7-11(17)15(2)12(14)18)13-10(16)6-8-4-3-5-19-8/h3-5,7H,6H2,1-2H3,(H,13,16)
InChIKeyCNHVYDHIGLLVAD-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.33
Rot. Bonds3

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-thiophen-2-ylacetamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-thiophen-2-ylacetamide (PubChem CID 2148448) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-thiophen-2-ylacetamide
PubChem CID2148448
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-thiophen-2-ylacetamide
SMILESCn1c(NC(=O)Cc2cccs2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H13N3O3S/c1-14-9(7-11(17)15(2)12(14)18)13-10(16)6-8-4-3-5-19-8/h3-5,7H,6H2,1-2H3,(H,13,16)
InChIKeyCNHVYDHIGLLVAD-UHFFFAOYSA-N
XLogP0.33
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-thiophen-2-ylacetamide (CID 2148448) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-thiophen-2-ylacetamide is Cn1c(NC(=O)Cc2cccs2)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-thiophen-2-ylacetamide?
The InChIKey is CNHVYDHIGLLVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-14-9(7-11(17)15(2)12(14)18)13-10(16)6-8-4-3-5-19-8/h3-5,7H,6H2,1-2H3,(H,13,16).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-thiophen-2-ylacetamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-thiophen-2-ylacetamide has a molecular weight of 279.32 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2148448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).