[(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate

C11H6Cl3N3O2S — CID 2778821

IUPAC[(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)ON=Cc1sc(Cl)nc1Cl
InChIInChI=1S/C11H6Cl3N3O2S/c12-6-1-3-7(4-2-6)16-11(18)19-15-5-8-9(13)17-10(14)20-8/h1-5H,(H,16,18)
InChIKeyUKDZIBOUXXNFOX-UHFFFAOYSA-N
MW350.61 g/mol
LogP4.69
Rot. Bonds3

About [(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate

[(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate (PubChem CID 2778821) has the molecular formula C11H6Cl3N3O2S and a molecular weight of 350.61 g/mol. Its IUPAC name is [(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate
PubChem CID2778821
Molecular FormulaC11H6Cl3N3O2S
Molecular Weight350.61 g/mol
Exact Mass348.92
IUPAC Name[(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)ON=Cc1sc(Cl)nc1Cl
InChIInChI=1S/C11H6Cl3N3O2S/c12-6-1-3-7(4-2-6)16-11(18)19-15-5-8-9(13)17-10(14)20-8/h1-5H,(H,16,18)
InChIKeyUKDZIBOUXXNFOX-UHFFFAOYSA-N
XLogP4.69
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.61
LogP ≤ 54.69
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of [(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate?
The IUPAC name of [(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate (CID 2778821) is [(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)ON=Cc1sc(Cl)nc1Cl.
What is the InChIKey of [(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate?
The InChIKey is UKDZIBOUXXNFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3N3O2S/c12-6-1-3-7(4-2-6)16-11(18)19-15-5-8-9(13)17-10(14)20-8/h1-5H,(H,16,18).
What are the key properties of [(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate?
[(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate has a molecular weight of 350.61 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 2778821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).