N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide

C11H11N3O3S — CID 903488

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide
SMILESCn1c(NC(=O)c2cccs2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H11N3O3S/c1-13-8(6-9(15)14(2)11(13)17)12-10(16)7-4-3-5-18-7/h3-6H,1-2H3,(H,12,16)
InChIKeyCYTZPNCHOLYYRN-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.40
Rot. Bonds2

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide (PubChem CID 903488) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide
PubChem CID903488
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide
SMILESCn1c(NC(=O)c2cccs2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H11N3O3S/c1-13-8(6-9(15)14(2)11(13)17)12-10(16)7-4-3-5-18-7/h3-6H,1-2H3,(H,12,16)
InChIKeyCYTZPNCHOLYYRN-UHFFFAOYSA-N
XLogP0.40
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.40
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)thiophene-2-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide (CID 903488) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide is Cn1c(NC(=O)c2cccs2)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide?
The InChIKey is CYTZPNCHOLYYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-13-8(6-9(15)14(2)11(13)17)12-10(16)7-4-3-5-18-7/h3-6H,1-2H3,(H,12,16).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiophene-2-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 0.40, 2 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)thiophene-2-carboxamide is sourced from PubChem (CID 903488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).