3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C18H17N3O4S — CID 82035737

IUPAC3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCc1c(C(=O)O)sc2nc(-c3ccc4c(c3)N(CC)C(=O)CO4)cn12
InChIInChI=1S/C18H17N3O4S/c1-3-12-16(17(23)24)26-18-19-11(8-21(12)18)10-5-6-14-13(7-10)20(4-2)15(22)9-25-14/h5-8H,3-4,9H2,1-2H3,(H,23,24)
InChIKeyIUZJKRBCURWAQK-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.07
Rot. Bonds4

About 3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035737) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82035737
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCc1c(C(=O)O)sc2nc(-c3ccc4c(c3)N(CC)C(=O)CO4)cn12
InChIInChI=1S/C18H17N3O4S/c1-3-12-16(17(23)24)26-18-19-11(8-21(12)18)10-5-6-14-13(7-10)20(4-2)15(22)9-25-14/h5-8H,3-4,9H2,1-2H3,(H,23,24)
InChIKeyIUZJKRBCURWAQK-UHFFFAOYSA-N
XLogP3.07
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035256
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 20995409
6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one
CID 3087431
3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carbaldehyde
CID 84761480
2,2-dimethyl-3-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]propanoic acid
CID 28898249
methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224554
6-(3,4-dichlorophenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035531
4-ethyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82063398
4-chloro-N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 20995425
2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28695856
ethyl 2-amino-4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methylthiophene-3-carboxylate
CID 39079152
4-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]butanoic acid
CID 28897428

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035737) is 3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CCc1c(C(=O)O)sc2nc(-c3ccc4c(c3)N(CC)C(=O)CO4)cn12.
What is the InChIKey of 3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is IUZJKRBCURWAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-3-12-16(17(23)24)26-18-19-11(8-21(12)18)10-5-6-14-13(7-10)20(4-2)15(22)9-25-14/h5-8H,3-4,9H2,1-2H3,(H,23,24).
What are the key properties of 3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 371.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).