N-[5-(dihydroxyamino)-1,3-thiazol-2-yl]furan-3-carboxamide

C8H7N3O4S — CID 88587269

IUPACN-[5-(dihydroxyamino)-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESO=C(Nc1ncc(N(O)O)s1)c1ccoc1
InChIInChI=1S/C8H7N3O4S/c12-7(5-1-2-15-4-5)10-8-9-3-6(16-8)11(13)14/h1-4,13-14H,(H,9,10,12)
InChIKeyJSUNMJQOYQXJQH-UHFFFAOYSA-N
MW241.23 g/mol
LogP1.57
Rot. Bonds3

About N-[5-(dihydroxyamino)-1,3-thiazol-2-yl]furan-3-carboxamide

N-[5-(dihydroxyamino)-1,3-thiazol-2-yl]furan-3-carboxamide (PubChem CID 88587269) has the molecular formula C8H7N3O4S and a molecular weight of 241.23 g/mol. Its IUPAC name is N-[5-(dihydroxyamino)-1,3-thiazol-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-(dihydroxyamino)-1,3-thiazol-2-yl]furan-3-carboxamide
PubChem CID88587269
Molecular FormulaC8H7N3O4S
Molecular Weight241.23 g/mol
Exact Mass241.02
IUPAC NameN-[5-(dihydroxyamino)-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESO=C(Nc1ncc(N(O)O)s1)c1ccoc1
InChIInChI=1S/C8H7N3O4S/c12-7(5-1-2-15-4-5)10-8-9-3-6(16-8)11(13)14/h1-4,13-14H,(H,9,10,12)
InChIKeyJSUNMJQOYQXJQH-UHFFFAOYSA-N
XLogP1.57
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dihydroxyamino)-1,3-thiazol-2-yl]furan-3-carboxamide?
The IUPAC name of N-[5-(dihydroxyamino)-1,3-thiazol-2-yl]furan-3-carboxamide (CID 88587269) is N-[5-(dihydroxyamino)-1,3-thiazol-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[5-(dihydroxyamino)-1,3-thiazol-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[5-(dihydroxyamino)-1,3-thiazol-2-yl]furan-3-carboxamide is O=C(Nc1ncc(N(O)O)s1)c1ccoc1.
What is the InChIKey of N-[5-(dihydroxyamino)-1,3-thiazol-2-yl]furan-3-carboxamide?
The InChIKey is JSUNMJQOYQXJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4S/c12-7(5-1-2-15-4-5)10-8-9-3-6(16-8)11(13)14/h1-4,13-14H,(H,9,10,12).
What are the key properties of N-[5-(dihydroxyamino)-1,3-thiazol-2-yl]furan-3-carboxamide?
N-[5-(dihydroxyamino)-1,3-thiazol-2-yl]furan-3-carboxamide has a molecular weight of 241.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dihydroxyamino)-1,3-thiazol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 88587269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).