3-(4-methylphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

C21H19N3OS — CID 118716432

IUPAC3-(4-methylphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1ccc(-c2csc3ncc(C(=O)NCCc4ccccc4)n23)cc1
InChIInChI=1S/C21H19N3OS/c1-15-7-9-17(10-8-15)19-14-26-21-23-13-18(24(19)21)20(25)22-12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,22,25)
InChIKeyPVQNXAVFYDSVKV-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.34
Rot. Bonds5

About 3-(4-methylphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

3-(4-methylphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 118716432) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID118716432
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name3-(4-methylphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1ccc(-c2csc3ncc(C(=O)NCCc4ccccc4)n23)cc1
InChIInChI=1S/C21H19N3OS/c1-15-7-9-17(10-8-15)19-14-26-21-23-13-18(24(19)21)20(25)22-12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,22,25)
InChIKeyPVQNXAVFYDSVKV-UHFFFAOYSA-N
XLogP4.34
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 118716432) is 3-(4-methylphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1ccc(-c2csc3ncc(C(=O)NCCc4ccccc4)n23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is PVQNXAVFYDSVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-15-7-9-17(10-8-15)19-14-26-21-23-13-18(24(19)21)20(25)22-12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,22,25).
What are the key properties of 3-(4-methylphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
3-(4-methylphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118716432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).