2H-1,3-thiazole-2,3-dicarboxamide

C5H7N3O2S — CID 67535174

IUPAC2H-1,3-thiazole-2,3-dicarboxamide
SMILESNC(=O)C1SC=CN1C(N)=O
InChIInChI=1S/C5H7N3O2S/c6-3(9)4-8(5(7)10)1-2-11-4/h1-2,4H,(H2,6,9)(H2,7,10)
InChIKeyAXGISGFLUYSNMD-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.60
Rot. Bonds1

About 2H-1,3-thiazole-2,3-dicarboxamide

2H-1,3-thiazole-2,3-dicarboxamide (PubChem CID 67535174) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is 2H-1,3-thiazole-2,3-dicarboxamide.

Molecular Properties

Compound Name2H-1,3-thiazole-2,3-dicarboxamide
PubChem CID67535174
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name2H-1,3-thiazole-2,3-dicarboxamide
SMILESNC(=O)C1SC=CN1C(N)=O
InChIInChI=1S/C5H7N3O2S/c6-3(9)4-8(5(7)10)1-2-11-4/h1-2,4H,(H2,6,9)(H2,7,10)
InChIKeyAXGISGFLUYSNMD-UHFFFAOYSA-N
XLogP-0.60
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-1,3-thiazole-2,3-dicarboxamide?
The IUPAC name of 2H-1,3-thiazole-2,3-dicarboxamide (CID 67535174) is 2H-1,3-thiazole-2,3-dicarboxamide.
What is the SMILES notation for 2H-1,3-thiazole-2,3-dicarboxamide?
The canonical SMILES for 2H-1,3-thiazole-2,3-dicarboxamide is NC(=O)C1SC=CN1C(N)=O.
What is the InChIKey of 2H-1,3-thiazole-2,3-dicarboxamide?
The InChIKey is AXGISGFLUYSNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c6-3(9)4-8(5(7)10)1-2-11-4/h1-2,4H,(H2,6,9)(H2,7,10).
What are the key properties of 2H-1,3-thiazole-2,3-dicarboxamide?
2H-1,3-thiazole-2,3-dicarboxamide has a molecular weight of 173.20 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,3-thiazole-2,3-dicarboxamide is sourced from PubChem (CID 67535174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).