N-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-carboxamide

C8H9Cl2N3O2S — CID 107965178

IUPACN-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-carboxamide
SMILESN/C(CCNC(=O)c1cc(Cl)sc1Cl)=N/O
InChIInChI=1S/C8H9Cl2N3O2S/c9-5-3-4(7(10)16-5)8(14)12-2-1-6(11)13-15/h3,15H,1-2H2,(H2,11,13)(H,12,14)
InChIKeyXLQWBAGCQPGMFZ-UHFFFAOYSA-N
MW282.15 g/mol
LogP1.92
Rot. Bonds4

About N-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-carboxamide

N-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-carboxamide (PubChem CID 107965178) has the molecular formula C8H9Cl2N3O2S and a molecular weight of 282.15 g/mol. Its IUPAC name is N-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-carboxamide
PubChem CID107965178
Molecular FormulaC8H9Cl2N3O2S
Molecular Weight282.15 g/mol
Exact Mass280.98
IUPAC NameN-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-carboxamide
SMILESN/C(CCNC(=O)c1cc(Cl)sc1Cl)=N/O
InChIInChI=1S/C8H9Cl2N3O2S/c9-5-3-4(7(10)16-5)8(14)12-2-1-6(11)13-15/h3,15H,1-2H2,(H2,11,13)(H,12,14)
InChIKeyXLQWBAGCQPGMFZ-UHFFFAOYSA-N
XLogP1.92
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 51.92
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 N-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-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-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,5-dichlorothiophene-3-carboxamide
CID 107965162
N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethoxybenzamide
CID 76948222
2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide
CID 103919609
ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate
CID 103604563
N-(2-amino-2-methylpropyl)-2,5-dichlorothiophene-3-carboxamide
CID 103807484
2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide
CID 107966047
N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide
CID 76952740
N-(3-amino-3-hydroxyiminopropyl)-2,3-difluorobenzamide
CID 76948110
N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide
CID 76953114
N-(3-amino-3-hydroxyiminopropyl)-5-fluoro-2-methylbenzamide
CID 76985782
N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 76948281
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dichlorothiophene-3-carboxamide
CID 114021714

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-carboxamide (CID 107965178) is N-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-carboxamide is N/C(CCNC(=O)c1cc(Cl)sc1Cl)=N/O.
What is the InChIKey of N-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is XLQWBAGCQPGMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O2S/c9-5-3-4(7(10)16-5)8(14)12-2-1-6(11)13-15/h3,15H,1-2H2,(H2,11,13)(H,12,14).
What are the key properties of N-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-carboxamide?
N-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 282.15 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 107965178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).