[(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate

C12H10N2O2S — CID 5332740

IUPAC[(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate
SMILESN/C(=N\OC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C12H10N2O2S/c13-11(9-5-2-1-3-6-9)14-16-12(15)10-7-4-8-17-10/h1-8H,(H2,13,14)
InChIKeyMRCLIPQMZZXXRE-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.23
Rot. Bonds3

About [(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate

[(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate (PubChem CID 5332740) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is [(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate
PubChem CID5332740
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name[(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate
SMILESN/C(=N\OC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C12H10N2O2S/c13-11(9-5-2-1-3-6-9)14-16-12(15)10-7-4-8-17-10/h1-8H,(H2,13,14)
InChIKeyMRCLIPQMZZXXRE-UHFFFAOYSA-N
XLogP2.23
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
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_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[amino-(2-chlorophenyl)methylidene]amino] thiophene-2-carboxylate
CID 6088369
[(E)-[amino(phenyl)methylidene]amino] benzoate
CID 6149734
[[amino-(3-pyrrol-1-ylphenyl)methylidene]amino] thiophene-2-carboxylate
CID 2797600
[[amino-[4-(N'-benzoyloxycarbamimidoyl)phenyl]methylidene]amino] benzoate
CID 58767880
benzoyl thiophene-2-carboxylate
CID 174319053
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-methylbenzoate
CID 19324371
[1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate
CID 140844707
benzamido thiophene-2-carboxylate
CID 2804175
benzamide;thiophene-2-carboxamide
CID 174752818
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-methoxybenzoate
CID 19296282
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-(trifluoromethyl)benzoate
CID 19324303
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 4,5-dibromothiophene-2-carboxylate
CID 19296359

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate?
The IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate (CID 5332740) is [(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate.
What is the SMILES notation for [(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate?
The canonical SMILES for [(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate is N/C(=N\OC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of [(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate?
The InChIKey is MRCLIPQMZZXXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c13-11(9-5-2-1-3-6-9)14-16-12(15)10-7-4-8-17-10/h1-8H,(H2,13,14).
What are the key properties of [(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate?
[(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate has a molecular weight of 246.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate is sourced from PubChem (CID 5332740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).