6-(2,5-dimethylphenyl)-N-(2-oxooxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C18H17N3O3S — CID 45198975

IUPAC6-(2,5-dimethylphenyl)-N-(2-oxooxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccc(C)c(-c2cn3c(C(=O)NC4CCOC4=O)csc3n2)c1
InChIInChI=1S/C18H17N3O3S/c1-10-3-4-11(2)12(7-10)14-8-21-15(9-25-18(21)20-14)16(22)19-13-5-6-24-17(13)23/h3-4,7-9,13H,5-6H2,1-2H3,(H,19,22)
InChIKeyTXZOAZPTSCWQNU-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.72
Rot. Bonds3

About 6-(2,5-dimethylphenyl)-N-(2-oxooxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(2,5-dimethylphenyl)-N-(2-oxooxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 45198975) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)-N-(2-oxooxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)-N-(2-oxooxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID45198975
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name6-(2,5-dimethylphenyl)-N-(2-oxooxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccc(C)c(-c2cn3c(C(=O)NC4CCOC4=O)csc3n2)c1
InChIInChI=1S/C18H17N3O3S/c1-10-3-4-11(2)12(7-10)14-8-21-15(9-25-18(21)20-14)16(22)19-13-5-6-24-17(13)23/h3-4,7-9,13H,5-6H2,1-2H3,(H,19,22)
InChIKeyTXZOAZPTSCWQNU-UHFFFAOYSA-N
XLogP2.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)-N-(2-oxooxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(2,5-dimethylphenyl)-N-(2-oxooxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 45198975) is 6-(2,5-dimethylphenyl)-N-(2-oxooxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylphenyl)-N-(2-oxooxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(2,5-dimethylphenyl)-N-(2-oxooxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is Cc1ccc(C)c(-c2cn3c(C(=O)NC4CCOC4=O)csc3n2)c1.
What is the InChIKey of 6-(2,5-dimethylphenyl)-N-(2-oxooxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is TXZOAZPTSCWQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-10-3-4-11(2)12(7-10)14-8-21-15(9-25-18(21)20-14)16(22)19-13-5-6-24-17(13)23/h3-4,7-9,13H,5-6H2,1-2H3,(H,19,22).
What are the key properties of 6-(2,5-dimethylphenyl)-N-(2-oxooxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(2,5-dimethylphenyl)-N-(2-oxooxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)-N-(2-oxooxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 45198975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).