4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxamide

C7H5N3O2S — CID 140675008

IUPAC4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cc2nc[nH]c(=O)c2s1
InChIInChI=1S/C7H5N3O2S/c8-6(11)4-1-3-5(13-4)7(12)10-2-9-3/h1-2H,(H2,8,11)(H,9,10,12)
InChIKeyAAFIHWBLUZWBFO-UHFFFAOYSA-N
MW195.20 g/mol
LogP0.08
Rot. Bonds1

About 4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxamide

4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 140675008) has the molecular formula C7H5N3O2S and a molecular weight of 195.20 g/mol. Its IUPAC name is 4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID140675008
Molecular FormulaC7H5N3O2S
Molecular Weight195.20 g/mol
Exact Mass195.01
IUPAC Name4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cc2nc[nH]c(=O)c2s1
InChIInChI=1S/C7H5N3O2S/c8-6(11)4-1-3-5(13-4)7(12)10-2-9-3/h1-2H,(H2,8,11)(H,9,10,12)
InChIKeyAAFIHWBLUZWBFO-UHFFFAOYSA-N
XLogP0.08
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-3H-thieno[3,2-d]pyrimidin-4-one;oxepane
CID 144744924
6-(4-fluorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135463111
6-(2-bromofuran-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136673922
6-(2-bromo-5-iodophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136890194
6-(2-bromo-5-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136890193
6-(1-methylcyclohexyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136762056
6-(4-fluoro-3-methylphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135984652
6-(4-fluoro-2-nitrophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136914259
6-[4-(trifluoromethoxy)phenyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136941685
4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
CID 157398260
4-[4-(2-hydroxyethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 90389307
7-bromo-5-hydroxy-3H-quinazolin-4-one
CID 139330727

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxamide (CID 140675008) is 4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxamide is NC(=O)c1cc2nc[nH]c(=O)c2s1.
What is the InChIKey of 4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is AAFIHWBLUZWBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2S/c8-6(11)4-1-3-5(13-4)7(12)10-2-9-3/h1-2H,(H2,8,11)(H,9,10,12).
What are the key properties of 4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxamide?
4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 195.20 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 140675008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).