3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C18H17N3O4S — CID 82035694

IUPAC3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCc1nc2sc(C)c(-c3ccc4c(c3)N(C)C(=O)C(C)O4)n2c1C(=O)O
InChIInChI=1S/C18H17N3O4S/c1-8-14(17(23)24)21-15(10(3)26-18(21)19-8)11-5-6-13-12(7-11)20(4)16(22)9(2)25-13/h5-7,9H,1-4H3,(H,23,24)
InChIKeyBVMYIUMIKKHDNA-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.12
Rot. Bonds2

About 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82035694) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82035694
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCc1nc2sc(C)c(-c3ccc4c(c3)N(C)C(=O)C(C)O4)n2c1C(=O)O
InChIInChI=1S/C18H17N3O4S/c1-8-14(17(23)24)21-15(10(3)26-18(21)19-8)11-5-6-13-12(7-11)20(4)16(22)9(2)25-13/h5-7,9H,1-4H3,(H,23,24)
InChIKeyBVMYIUMIKKHDNA-UHFFFAOYSA-N
XLogP3.12
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82035694) is 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is Cc1nc2sc(C)c(-c3ccc4c(c3)N(C)C(=O)C(C)O4)n2c1C(=O)O.
What is the InChIKey of 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is BVMYIUMIKKHDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-8-14(17(23)24)21-15(10(3)26-18(21)19-8)11-5-6-13-12(7-11)20(4)16(22)9(2)25-13/h5-7,9H,1-4H3,(H,23,24).
What are the key properties of 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 371.42 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82035694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).