2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide

C13H11N3O3S2 — CID 4116003

IUPAC2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccsc2c1=O)NCc1cccs1
InChIInChI=1S/C13H11N3O3S2/c17-10(14-6-8-2-1-4-20-8)7-16-12(18)11-9(3-5-21-11)15-13(16)19/h1-5H,6-7H2,(H,14,17)(H,15,19)
InChIKeyXFSGBTLKUYMGRO-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.13
Rot. Bonds4

About 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4116003) has the molecular formula C13H11N3O3S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4116003
Molecular FormulaC13H11N3O3S2
Molecular Weight321.38 g/mol
Exact Mass321.02
IUPAC Name2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccsc2c1=O)NCc1cccs1
InChIInChI=1S/C13H11N3O3S2/c17-10(14-6-8-2-1-4-20-8)7-16-12(18)11-9(3-5-21-11)15-13(16)19/h1-5H,6-7H2,(H,14,17)(H,15,19)
InChIKeyXFSGBTLKUYMGRO-UHFFFAOYSA-N
XLogP1.13
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide with MolForge

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Related Compounds

N-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide
CID 4647526
N-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide
CID 3239877
6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide
CID 4191578
N-[(2-chlorophenyl)methyl]-4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)butanamide
CID 22422840
2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one
CID 43396202
5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]pentanamide
CID 2135221
3-benzyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 56686605
5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide
CID 22422855
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-methoxyethyl)butanamide
CID 15987974

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 4116003) is 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1c(=O)[nH]c2ccsc2c1=O)NCc1cccs1.
What is the InChIKey of 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XFSGBTLKUYMGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S2/c17-10(14-6-8-2-1-4-20-8)7-16-12(18)11-9(3-5-21-11)15-13(16)19/h1-5H,6-7H2,(H,14,17)(H,15,19).
What are the key properties of 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4116003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).