[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-chlorophenyl)cyclopropane-1-carboxylate

C15H13ClN2O2S — CID 19296353

IUPAC[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESN/C(=N\OC(=O)C1CC1c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C15H13ClN2O2S/c16-10-5-3-9(4-6-10)11-8-12(11)15(19)20-18-14(17)13-2-1-7-21-13/h1-7,11-12H,8H2,(H2,17,18)
InChIKeyKKZMHYAMMIWCJX-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.37
Rot. Bonds4

About [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-chlorophenyl)cyclopropane-1-carboxylate

[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-chlorophenyl)cyclopropane-1-carboxylate (PubChem CID 19296353) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-chlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-chlorophenyl)cyclopropane-1-carboxylate
PubChem CID19296353
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESN/C(=N\OC(=O)C1CC1c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C15H13ClN2O2S/c16-10-5-3-9(4-6-10)11-8-12(11)15(19)20-18-14(17)13-2-1-7-21-13/h1-7,11-12H,8H2,(H2,17,18)
InChIKeyKKZMHYAMMIWCJX-UHFFFAOYSA-N
XLogP3.37
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.37
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

[(Z)-[amino(thiophen-2-yl)methylidene]amino] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 19324347
2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 23027092
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 88976035
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(4-chlorophenyl)acetamide
CID 47118154
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 70794725
(4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate
CID 91719094
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate
CID 19296291
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
[(E)-[(4-bromophenyl)-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]methylidene]amino] cyclopropanecarboxylate
CID 40822686
[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 2-phenylcyclopropane-1-carboxylate
CID 19294151

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-chlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-chlorophenyl)cyclopropane-1-carboxylate (CID 19296353) is [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-chlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-chlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-chlorophenyl)cyclopropane-1-carboxylate is N/C(=N\OC(=O)C1CC1c1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-chlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is KKZMHYAMMIWCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c16-10-5-3-9(4-6-10)11-8-12(11)15(19)20-18-14(17)13-2-1-7-21-13/h1-7,11-12H,8H2,(H2,17,18).
What are the key properties of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-chlorophenyl)cyclopropane-1-carboxylate?
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-chlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 320.80 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-(4-chlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 19296353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).