4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide

C19H12ClFN4OS — CID 162661101

IUPAC4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1c(-c2ccc(F)cc2)nc2sccn12)c1ccc(Cl)cc1
InChIInChI=1S/C19H12ClFN4OS/c20-14-5-1-13(2-6-14)18(26)24-22-11-16-17(12-3-7-15(21)8-4-12)23-19-25(16)9-10-27-19/h1-11H,(H,24,26)/b22-11+
InChIKeyPZSOZTZJGGOTEZ-SSDVNMTOSA-N
MW398.85 g/mol
LogP4.62
Rot. Bonds4

About 4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide

4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide (PubChem CID 162661101) has the molecular formula C19H12ClFN4OS and a molecular weight of 398.85 g/mol. Its IUPAC name is 4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide
PubChem CID162661101
Molecular FormulaC19H12ClFN4OS
Molecular Weight398.85 g/mol
Exact Mass398.04
IUPAC Name4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1c(-c2ccc(F)cc2)nc2sccn12)c1ccc(Cl)cc1
InChIInChI=1S/C19H12ClFN4OS/c20-14-5-1-13(2-6-14)18(26)24-22-11-16-17(12-3-7-15(21)8-4-12)23-19-25(16)9-10-27-19/h1-11H,(H,24,26)/b22-11+
InChIKeyPZSOZTZJGGOTEZ-SSDVNMTOSA-N
XLogP4.62
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-ethoxybenzamide
CID 9214908
2,4-dioxo-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide
CID 2320147
2,4-dioxo-N-[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-1H-pyrimidine-6-carboxamide
CID 6256977
N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518070
4-chloro-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 2222769
[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate
CID 1473296
4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide
CID 55668837
N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide
CID 9175195
(Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine
CID 6267892
2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 45262277
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82060205
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylpropanamide
CID 17415628

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide (CID 162661101) is 4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide is O=C(N/N=C/c1c(-c2ccc(F)cc2)nc2sccn12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide?
The InChIKey is PZSOZTZJGGOTEZ-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H12ClFN4OS/c20-14-5-1-13(2-6-14)18(26)24-22-11-16-17(12-3-7-15(21)8-4-12)23-19-25(16)9-10-27-19/h1-11H,(H,24,26)/b22-11+.
What are the key properties of 4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide?
4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide has a molecular weight of 398.85 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide is sourced from PubChem (CID 162661101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).