N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide

C12H9ClN2O2S — CID 728473

IUPACN-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(NN=Cc1cc(Cl)ccc1O)c1cccs1
InChIInChI=1S/C12H9ClN2O2S/c13-9-3-4-10(16)8(6-9)7-14-15-12(17)11-2-1-5-18-11/h1-7,16H,(H,15,17)
InChIKeyYPSWITZYSSEKGU-UHFFFAOYSA-N
MW280.74 g/mol
LogP2.87
Rot. Bonds3

About N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide

N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 728473) has the molecular formula C12H9ClN2O2S and a molecular weight of 280.74 g/mol. Its IUPAC name is N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID728473
Molecular FormulaC12H9ClN2O2S
Molecular Weight280.74 g/mol
Exact Mass280.01
IUPAC NameN-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(NN=Cc1cc(Cl)ccc1O)c1cccs1
InChIInChI=1S/C12H9ClN2O2S/c13-9-3-4-10(16)8(6-9)7-14-15-12(17)11-2-1-5-18-11/h1-7,16H,(H,15,17)
InChIKeyYPSWITZYSSEKGU-UHFFFAOYSA-N
XLogP2.87
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide
CID 136715577
N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 50929991
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135527074
[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
CID 135408520
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2118005
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136628097
N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide
CID 6910346
N-[(E)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 135588704
N-[3-[2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 3528556
3,4-dibromo-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide
CID 137361726
2-chloro-N-[3-[2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 3921404

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide (CID 728473) is N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide is O=C(NN=Cc1cc(Cl)ccc1O)c1cccs1.
What is the InChIKey of N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is YPSWITZYSSEKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2S/c13-9-3-4-10(16)8(6-9)7-14-15-12(17)11-2-1-5-18-11/h1-7,16H,(H,15,17).
What are the key properties of N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide?
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 280.74 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 728473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).