5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide

C12H10ClN3O2S — CID 55037454

IUPAC5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
SMILESN/C(=N/O)c1ccccc1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H10ClN3O2S/c13-10-6-5-9(19-10)12(17)15-8-4-2-1-3-7(8)11(14)16-18/h1-6,18H,(H2,14,16)(H,15,17)
InChIKeyWMXZJADYEQVDAB-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.75
Rot. Bonds3

About 5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide

5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55037454) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is 5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
PubChem CID55037454
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC Name5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
SMILESN/C(=N/O)c1ccccc1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H10ClN3O2S/c13-10-6-5-9(19-10)12(17)15-8-4-2-1-3-7(8)11(14)16-18/h1-6,18H,(H2,14,16)(H,15,17)
InChIKeyWMXZJADYEQVDAB-UHFFFAOYSA-N
XLogP2.75
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide
CID 107000040
N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 139085269
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
2-bromo-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-3-carboxamide
CID 106855740
3-chloro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]pyridine-4-carboxamide
CID 77135119
4-chloro-3-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 107992341
3,4-dihydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 107728885
5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide
CID 841081
5-chloro-N-(2-imidazol-1-ylphenyl)thiophene-2-carboxamide
CID 47165423
N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2,3-dimethylbutanamide
CID 77015744
methyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate
CID 59140476
5-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylbenzamide
CID 76932769

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide (CID 55037454) is 5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide is N/C(=N/O)c1ccccc1NC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is WMXZJADYEQVDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c13-10-6-5-9(19-10)12(17)15-8-4-2-1-3-7(8)11(14)16-18/h1-6,18H,(H2,14,16)(H,15,17).
What are the key properties of 5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide?
5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 295.75 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55037454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).