2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C17H16N2O2S — CID 92914402

IUPAC2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESC=C(C)COc1ccc(-c2nc3sc(C)cn3c2C=O)cc1
InChIInChI=1S/C17H16N2O2S/c1-11(2)10-21-14-6-4-13(5-7-14)16-15(9-20)19-8-12(3)22-17(19)18-16/h4-9H,1,10H2,2-3H3
InChIKeyMODRWEJBNKYEBP-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.14
Rot. Bonds5

About 2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 92914402) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID92914402
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESC=C(C)COc1ccc(-c2nc3sc(C)cn3c2C=O)cc1
InChIInChI=1S/C17H16N2O2S/c1-11(2)10-21-14-6-4-13(5-7-14)16-15(9-20)19-8-12(3)22-17(19)18-16/h4-9H,1,10H2,2-3H3
InChIKeyMODRWEJBNKYEBP-UHFFFAOYSA-N
XLogP4.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 92914402) is 2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is C=C(C)COc1ccc(-c2nc3sc(C)cn3c2C=O)cc1.
What is the InChIKey of 2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is MODRWEJBNKYEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11(2)10-21-14-6-4-13(5-7-14)16-15(9-20)19-8-12(3)22-17(19)18-16/h4-9H,1,10H2,2-3H3.
What are the key properties of 2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 312.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 92914402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).