N-hydroxy-5-(5-methyl-1H-imidazol-2-yl)thiophene-2-carboxamide

C9H9N3O2S — CID 58657164

IUPACN-hydroxy-5-(5-methyl-1H-imidazol-2-yl)thiophene-2-carboxamide
SMILESCc1cnc(-c2ccc(C(=O)NO)s2)[nH]1
InChIInChI=1S/C9H9N3O2S/c1-5-4-10-8(11-5)6-2-3-7(15-6)9(13)12-14/h2-4,14H,1H3,(H,10,11)(H,12,13)
InChIKeyPFPLTULGTXHYPL-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.57
Rot. Bonds2

About N-hydroxy-5-(5-methyl-1H-imidazol-2-yl)thiophene-2-carboxamide

N-hydroxy-5-(5-methyl-1H-imidazol-2-yl)thiophene-2-carboxamide (PubChem CID 58657164) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is N-hydroxy-5-(5-methyl-1H-imidazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-(5-methyl-1H-imidazol-2-yl)thiophene-2-carboxamide
PubChem CID58657164
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC NameN-hydroxy-5-(5-methyl-1H-imidazol-2-yl)thiophene-2-carboxamide
SMILESCc1cnc(-c2ccc(C(=O)NO)s2)[nH]1
InChIInChI=1S/C9H9N3O2S/c1-5-4-10-8(11-5)6-2-3-7(15-6)9(13)12-14/h2-4,14H,1H3,(H,10,11)(H,12,13)
InChIKeyPFPLTULGTXHYPL-UHFFFAOYSA-N
XLogP1.57
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-(5-methyl-1H-imidazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-hydroxy-5-(5-methyl-1H-imidazol-2-yl)thiophene-2-carboxamide (CID 58657164) is N-hydroxy-5-(5-methyl-1H-imidazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-(5-methyl-1H-imidazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-5-(5-methyl-1H-imidazol-2-yl)thiophene-2-carboxamide is Cc1cnc(-c2ccc(C(=O)NO)s2)[nH]1.
What is the InChIKey of N-hydroxy-5-(5-methyl-1H-imidazol-2-yl)thiophene-2-carboxamide?
The InChIKey is PFPLTULGTXHYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-5-4-10-8(11-5)6-2-3-7(15-6)9(13)12-14/h2-4,14H,1H3,(H,10,11)(H,12,13).
What are the key properties of N-hydroxy-5-(5-methyl-1H-imidazol-2-yl)thiophene-2-carboxamide?
N-hydroxy-5-(5-methyl-1H-imidazol-2-yl)thiophene-2-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-(5-methyl-1H-imidazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 58657164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).