7-(2-methylphenyl)-5-(4-methylphenyl)-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol

C19H21N2OS+ — CID 5077002

IUPAC7-(2-methylphenyl)-5-(4-methylphenyl)-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol
SMILESCc1ccc(C2(O)CN(c3ccccc3C)C3=[N+]2CCS3)cc1
InChIInChI=1S/C19H21N2OS/c1-14-7-9-16(10-8-14)19(22)13-20(18-21(19)11-12-23-18)17-6-4-3-5-15(17)2/h3-10,22H,11-13H2,1-2H3/q+1
InChIKeyRNJKCXKJZCORTR-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.08
Rot. Bonds2

About 7-(2-methylphenyl)-5-(4-methylphenyl)-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol

7-(2-methylphenyl)-5-(4-methylphenyl)-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol (PubChem CID 5077002) has the molecular formula C19H21N2OS+ and a molecular weight of 325.46 g/mol. Its IUPAC name is 7-(2-methylphenyl)-5-(4-methylphenyl)-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol.

Molecular Properties

Compound Name7-(2-methylphenyl)-5-(4-methylphenyl)-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol
PubChem CID5077002
Molecular FormulaC19H21N2OS+
Molecular Weight325.46 g/mol
Exact Mass325.14
IUPAC Name7-(2-methylphenyl)-5-(4-methylphenyl)-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol
SMILESCc1ccc(C2(O)CN(c3ccccc3C)C3=[N+]2CCS3)cc1
InChIInChI=1S/C19H21N2OS/c1-14-7-9-16(10-8-14)19(22)13-20(18-21(19)11-12-23-18)17-6-4-3-5-15(17)2/h3-10,22H,11-13H2,1-2H3/q+1
InChIKeyRNJKCXKJZCORTR-UHFFFAOYSA-N
XLogP3.08
TPSA26.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_imine_ium(2)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylphenyl)-5-(4-methylphenyl)-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol?
The IUPAC name of 7-(2-methylphenyl)-5-(4-methylphenyl)-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol (CID 5077002) is 7-(2-methylphenyl)-5-(4-methylphenyl)-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol.
What is the SMILES notation for 7-(2-methylphenyl)-5-(4-methylphenyl)-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol?
The canonical SMILES for 7-(2-methylphenyl)-5-(4-methylphenyl)-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol is Cc1ccc(C2(O)CN(c3ccccc3C)C3=[N+]2CCS3)cc1.
What is the InChIKey of 7-(2-methylphenyl)-5-(4-methylphenyl)-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol?
The InChIKey is RNJKCXKJZCORTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N2OS/c1-14-7-9-16(10-8-14)19(22)13-20(18-21(19)11-12-23-18)17-6-4-3-5-15(17)2/h3-10,22H,11-13H2,1-2H3/q+1.
What are the key properties of 7-(2-methylphenyl)-5-(4-methylphenyl)-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol?
7-(2-methylphenyl)-5-(4-methylphenyl)-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol has a molecular weight of 325.46 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylphenyl)-5-(4-methylphenyl)-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol is sourced from PubChem (CID 5077002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).