(E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide

C18H19N3OS — CID 24559360

IUPAC(E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide
SMILESCc1cn2c(/C=C/C(=O)N(C)Cc3ccccc3)c(C)nc2s1
InChIInChI=1S/C18H19N3OS/c1-13-11-21-16(14(2)19-18(21)23-13)9-10-17(22)20(3)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3/b10-9+
InChIKeyPCSSLZQKWLTGBK-MDZDMXLPSA-N
MW325.44 g/mol
LogP3.68
Rot. Bonds4

About (E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide

(E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide (PubChem CID 24559360) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is (E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide
PubChem CID24559360
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name(E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide
SMILESCc1cn2c(/C=C/C(=O)N(C)Cc3ccccc3)c(C)nc2s1
InChIInChI=1S/C18H19N3OS/c1-13-11-21-16(14(2)19-18(21)23-13)9-10-17(22)20(3)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3/b10-9+
InChIKeyPCSSLZQKWLTGBK-MDZDMXLPSA-N
XLogP3.68
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide (CID 24559360) is (E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide is Cc1cn2c(/C=C/C(=O)N(C)Cc3ccccc3)c(C)nc2s1.
What is the InChIKey of (E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide?
The InChIKey is PCSSLZQKWLTGBK-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-11-21-16(14(2)19-18(21)23-13)9-10-17(22)20(3)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3/b10-9+.
What are the key properties of (E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide?
(E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide has a molecular weight of 325.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 24559360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).