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

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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).