3-[(4H-thieno[3,2-b]pyrrole-5-carbonylamino)methyl]-1,2,4-oxadiazole-5-carboxamide

C11H9N5O3S — CID 91781266

IUPAC3-[(4H-thieno[3,2-b]pyrrole-5-carbonylamino)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc(CNC(=O)c2cc3sccc3[nH]2)no1
InChIInChI=1S/C11H9N5O3S/c12-9(17)11-15-8(16-19-11)4-13-10(18)6-3-7-5(14-6)1-2-20-7/h1-3,14H,4H2,(H2,12,17)(H,13,18)
InChIKeyARJQBMZATSISCE-UHFFFAOYSA-N
MW291.29 g/mol
LogP0.64
Rot. Bonds4

About 3-[(4H-thieno[3,2-b]pyrrole-5-carbonylamino)methyl]-1,2,4-oxadiazole-5-carboxamide

3-[(4H-thieno[3,2-b]pyrrole-5-carbonylamino)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 91781266) has the molecular formula C11H9N5O3S and a molecular weight of 291.29 g/mol. Its IUPAC name is 3-[(4H-thieno[3,2-b]pyrrole-5-carbonylamino)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4H-thieno[3,2-b]pyrrole-5-carbonylamino)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID91781266
Molecular FormulaC11H9N5O3S
Molecular Weight291.29 g/mol
Exact Mass291.04
IUPAC Name3-[(4H-thieno[3,2-b]pyrrole-5-carbonylamino)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc(CNC(=O)c2cc3sccc3[nH]2)no1
InChIInChI=1S/C11H9N5O3S/c12-9(17)11-15-8(16-19-11)4-13-10(18)6-3-7-5(14-6)1-2-20-7/h1-3,14H,4H2,(H2,12,17)(H,13,18)
InChIKeyARJQBMZATSISCE-UHFFFAOYSA-N
XLogP0.64
TPSA126.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4H-thieno[3,2-b]pyrrole-5-carbonylamino)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4H-thieno[3,2-b]pyrrole-5-carbonylamino)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 91781266) is 3-[(4H-thieno[3,2-b]pyrrole-5-carbonylamino)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4H-thieno[3,2-b]pyrrole-5-carbonylamino)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4H-thieno[3,2-b]pyrrole-5-carbonylamino)methyl]-1,2,4-oxadiazole-5-carboxamide is NC(=O)c1nc(CNC(=O)c2cc3sccc3[nH]2)no1.
What is the InChIKey of 3-[(4H-thieno[3,2-b]pyrrole-5-carbonylamino)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ARJQBMZATSISCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O3S/c12-9(17)11-15-8(16-19-11)4-13-10(18)6-3-7-5(14-6)1-2-20-7/h1-3,14H,4H2,(H2,12,17)(H,13,18).
What are the key properties of 3-[(4H-thieno[3,2-b]pyrrole-5-carbonylamino)methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[(4H-thieno[3,2-b]pyrrole-5-carbonylamino)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 291.29 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4H-thieno[3,2-b]pyrrole-5-carbonylamino)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 91781266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).