N-benzyl-N-[(Z)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline

C20H18N4S — CID 6245677

IUPACN-benzyl-N-[(Z)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline
SMILESCc1nc2sccn2c1/C=N\N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N4S/c1-16-19(23-12-13-25-20(23)22-16)14-21-24(18-10-6-3-7-11-18)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3/b21-14-
InChIKeyBMWKCXGQTDIJHL-STZFKDTASA-N
MW346.46 g/mol
LogP4.74
Rot. Bonds5

About N-benzyl-N-[(Z)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline

N-benzyl-N-[(Z)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline (PubChem CID 6245677) has the molecular formula C20H18N4S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-benzyl-N-[(Z)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-benzyl-N-[(Z)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline
PubChem CID6245677
Molecular FormulaC20H18N4S
Molecular Weight346.46 g/mol
Exact Mass346.13
IUPAC NameN-benzyl-N-[(Z)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline
SMILESCc1nc2sccn2c1/C=N\N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N4S/c1-16-19(23-12-13-25-20(23)22-16)14-21-24(18-10-6-3-7-11-18)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3/b21-14-
InChIKeyBMWKCXGQTDIJHL-STZFKDTASA-N
XLogP4.74
TPSA32.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(Z)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline?
The IUPAC name of N-benzyl-N-[(Z)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline (CID 6245677) is N-benzyl-N-[(Z)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline.
What is the SMILES notation for N-benzyl-N-[(Z)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline?
The canonical SMILES for N-benzyl-N-[(Z)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline is Cc1nc2sccn2c1/C=N\N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-[(Z)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline?
The InChIKey is BMWKCXGQTDIJHL-STZFKDTASA-N. The full InChI is InChI=1S/C20H18N4S/c1-16-19(23-12-13-25-20(23)22-16)14-21-24(18-10-6-3-7-11-18)15-17-8-4-2-5-9-17/h2-14H,15H2,1H3/b21-14-.
What are the key properties of N-benzyl-N-[(Z)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline?
N-benzyl-N-[(Z)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline has a molecular weight of 346.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(Z)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline is sourced from PubChem (CID 6245677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).