[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate

C19H11Cl2N3O2S — CID 1473296

IUPAC[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate
SMILESO=C(ON=Cc1c(-c2ccccc2)nc2sccn12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H11Cl2N3O2S/c20-14-7-6-13(10-15(14)21)18(25)26-22-11-16-17(12-4-2-1-3-5-12)23-19-24(16)8-9-27-19/h1-11H
InChIKeyBWZCOAZDTCAAEZ-UHFFFAOYSA-N
MW416.29 g/mol
LogP5.56
Rot. Bonds4

About [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate

[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate (PubChem CID 1473296) has the molecular formula C19H11Cl2N3O2S and a molecular weight of 416.29 g/mol. Its IUPAC name is [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate.

Molecular Properties

Compound Name[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate
PubChem CID1473296
Molecular FormulaC19H11Cl2N3O2S
Molecular Weight416.29 g/mol
Exact Mass414.99
IUPAC Name[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate
SMILESO=C(ON=Cc1c(-c2ccccc2)nc2sccn12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H11Cl2N3O2S/c20-14-7-6-13(10-15(14)21)18(25)26-22-11-16-17(12-4-2-1-3-5-12)23-19-24(16)8-9-27-19/h1-11H
InChIKeyBWZCOAZDTCAAEZ-UHFFFAOYSA-N
XLogP5.56
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.29
LogP ≤ 55.56
H-Bond Donors ≤ 50
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] 3-(trifluoromethyl)benzoate
CID 1473288
[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-phenylcarbamate
CID 1473291
2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
CID 5468547
2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride
CID 5468546
[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate
CID 1488122
(E)-1-(4-chloro-3-nitrophenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 7516233
N-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine
CID 155269219
4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide
CID 162661101
2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide
CID 6256977
ethyl 3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 169481294
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 10802132
8-(6-phenylimidazo[2,1-b][1,3]thiazole-5-carbonyl)oxyoctyl 6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 11592429

Frequently Asked Questions

What is the IUPAC name of [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate?
The IUPAC name of [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate (CID 1473296) is [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate.
What is the SMILES notation for [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate?
The canonical SMILES for [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate is O=C(ON=Cc1c(-c2ccccc2)nc2sccn12)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate?
The InChIKey is BWZCOAZDTCAAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N3O2S/c20-14-7-6-13(10-15(14)21)18(25)26-22-11-16-17(12-4-2-1-3-5-12)23-19-24(16)8-9-27-19/h1-11H.
What are the key properties of [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate?
[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate has a molecular weight of 416.29 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate is sourced from PubChem (CID 1473296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).