N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide

C20H15ClN4O2S — CID 8518070

IUPACN-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide
SMILESO=C(N/N=C\c1c(Cl)nc2sccn12)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C20H15ClN4O2S/c21-18-17(25-10-11-28-20(25)23-18)12-22-24-19(26)15-8-6-14(7-9-15)13-27-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,26)/b22-12-
InChIKeyNIHQNTFNSDMWBS-UUYOSTAYSA-N
MW410.89 g/mol
LogP4.39
Rot. Bonds6

About N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide

N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide (PubChem CID 8518070) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide
PubChem CID8518070
Molecular FormulaC20H15ClN4O2S
Molecular Weight410.89 g/mol
Exact Mass410.06
IUPAC NameN-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide
SMILESO=C(N/N=C\c1c(Cl)nc2sccn12)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C20H15ClN4O2S/c21-18-17(25-10-11-28-20(25)23-18)12-22-24-19(26)15-8-6-14(7-9-15)13-27-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,26)/b22-12-
InChIKeyNIHQNTFNSDMWBS-UUYOSTAYSA-N
XLogP4.39
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518234
4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 42992148
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide
CID 162661101
2-[4-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8518057
4-[(4-chlorophenoxy)methyl]-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 9408946
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 6307220
N-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518126
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide (CID 8518070) is N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide is O=C(N/N=C\c1c(Cl)nc2sccn12)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide?
The InChIKey is NIHQNTFNSDMWBS-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c21-18-17(25-10-11-28-20(25)23-18)12-22-24-19(26)15-8-6-14(7-9-15)13-27-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,26)/b22-12-.
What are the key properties of N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide?
N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide has a molecular weight of 410.89 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 8518070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).