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

C13H8Cl2N4O2S — CID 2799703

IUPAC[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)ON=Cc1c(Cl)nc2sccn12
InChIInChI=1S/C13H8Cl2N4O2S/c14-8-1-3-9(4-2-8)17-13(20)21-16-7-10-11(15)18-12-19(10)5-6-22-12/h1-7H,(H,17,20)
InChIKeyJZOHOXZAVYUFKN-UHFFFAOYSA-N
MW355.21 g/mol
LogP4.29
Rot. Bonds3

About [(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate

[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate (PubChem CID 2799703) has the molecular formula C13H8Cl2N4O2S and a molecular weight of 355.21 g/mol. Its IUPAC name is [(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate
PubChem CID2799703
Molecular FormulaC13H8Cl2N4O2S
Molecular Weight355.21 g/mol
Exact Mass353.97
IUPAC Name[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)ON=Cc1c(Cl)nc2sccn12
InChIInChI=1S/C13H8Cl2N4O2S/c14-8-1-3-9(4-2-8)17-13(20)21-16-7-10-11(15)18-12-19(10)5-6-22-12/h1-7H,(H,17,20)
InChIKeyJZOHOXZAVYUFKN-UHFFFAOYSA-N
XLogP4.29
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate
CID 1473291
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-chlorophenyl)prop-2-enamide
CID 36678294
[(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 2778821
2-chloro-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline
CID 9069826
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-ethylphenyl)prop-2-enamide
CID 37345011
[2-(4-methylanilino)-2-oxoethyl] 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 76854583
N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-ethoxybenzamide
CID 9214908
[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 2777400
(E)-N-(4-chloro-2-fluorophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 36681573
N-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135493467
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
CID 37345715
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide
CID 37121177

Frequently Asked Questions

What is the IUPAC name of [(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate?
The IUPAC name of [(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate (CID 2799703) is [(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)ON=Cc1c(Cl)nc2sccn12.
What is the InChIKey of [(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate?
The InChIKey is JZOHOXZAVYUFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4O2S/c14-8-1-3-9(4-2-8)17-13(20)21-16-7-10-11(15)18-12-19(10)5-6-22-12/h1-7H,(H,17,20).
What are the key properties of [(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate?
[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate has a molecular weight of 355.21 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 2799703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).