[(Z)-1-thiophen-2-ylethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate

C15H10ClNO2S2 — CID 6233138

IUPAC[(Z)-1-thiophen-2-ylethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate
SMILESC/C(=N/OC(=O)c1sc2ccccc2c1Cl)c1cccs1
InChIInChI=1S/C15H10ClNO2S2/c1-9(11-7-4-8-20-11)17-19-15(18)14-13(16)10-5-2-3-6-12(10)21-14/h2-8H,1H3/b17-9-
InChIKeyNTZBGRXAFWKLQA-MFOYZWKCSA-N
MW335.84 g/mol
LogP5.20
Rot. Bonds3

About [(Z)-1-thiophen-2-ylethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate

[(Z)-1-thiophen-2-ylethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate (PubChem CID 6233138) has the molecular formula C15H10ClNO2S2 and a molecular weight of 335.84 g/mol. Its IUPAC name is [(Z)-1-thiophen-2-ylethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Name[(Z)-1-thiophen-2-ylethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate
PubChem CID6233138
Molecular FormulaC15H10ClNO2S2
Molecular Weight335.84 g/mol
Exact Mass334.98
IUPAC Name[(Z)-1-thiophen-2-ylethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate
SMILESC/C(=N/OC(=O)c1sc2ccccc2c1Cl)c1cccs1
InChIInChI=1S/C15H10ClNO2S2/c1-9(11-7-4-8-20-11)17-19-15(18)14-13(16)10-5-2-3-6-12(10)21-14/h2-8H,1H3/b17-9-
InChIKeyNTZBGRXAFWKLQA-MFOYZWKCSA-N
XLogP5.20
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.84
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

3-chloro-N-[4-(thiophene-2-carbonylamino)phenyl]-1-benzothiophene-2-carboxamide
CID 1016206
1-(3-chloro-1-benzothiophen-2-yl)ethanone;ethane
CID 142134856
(cyclododecylideneamino) 3-chloro-1-benzothiophene-2-carboxylate
CID 2801801
[(Z)-1-thiophen-2-ylethylideneamino] 3,4,5-triethoxybenzoate
CID 6160907
(2-amino-2-oxoethyl) 3-chloro-1-benzothiophene-2-carboxylate
CID 2357135
(2,6-dimethylphenyl) 3-chloro-1-benzothiophene-2-carboxylate
CID 918099
3-chloro-N-[(Z)-(4,4-difluoro-1-oxo-1-thiophen-2-ylpentan-3-ylidene)amino]-1-benzothiophene-2-carboxamide
CID 172959957
1-phenylethyl 3-chloro-1-benzothiophene-2-carboxylate
CID 16528489
[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 8936688
3-chloro-1-benzothiophene-2-carboxylic acid;hydrochloride
CID 69253598
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-chloro-1-benzothiophene-2-carboxylate
CID 18130498
[(Z)-1-thiophen-2-ylethylideneamino] 3-bromo-4-methylbenzoate
CID 6233145

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-thiophen-2-ylethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate?
The IUPAC name of [(Z)-1-thiophen-2-ylethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate (CID 6233138) is [(Z)-1-thiophen-2-ylethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate.
What is the SMILES notation for [(Z)-1-thiophen-2-ylethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate?
The canonical SMILES for [(Z)-1-thiophen-2-ylethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate is C/C(=N/OC(=O)c1sc2ccccc2c1Cl)c1cccs1.
What is the InChIKey of [(Z)-1-thiophen-2-ylethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate?
The InChIKey is NTZBGRXAFWKLQA-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H10ClNO2S2/c1-9(11-7-4-8-20-11)17-19-15(18)14-13(16)10-5-2-3-6-12(10)21-14/h2-8H,1H3/b17-9-.
What are the key properties of [(Z)-1-thiophen-2-ylethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate?
[(Z)-1-thiophen-2-ylethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate has a molecular weight of 335.84 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-thiophen-2-ylethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 6233138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).