2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid

C15H11N3O4S — CID 39200811

IUPAC2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
SMILESCc1sc2nc(CC(=O)O)cn2c1-c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C15H11N3O4S/c1-7-13(8-2-3-10-11(4-8)22-15(21)17-10)18-6-9(5-12(19)20)16-14(18)23-7/h2-4,6H,5H2,1H3,(H,17,21)(H,19,20)
InChIKeyRDDYICYUWXZNIX-UHFFFAOYSA-N
MW329.34 g/mol
LogP2.43
Rot. Bonds3

About 2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid

2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid (PubChem CID 39200811) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is 2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
PubChem CID39200811
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC Name2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
SMILESCc1sc2nc(CC(=O)O)cn2c1-c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C15H11N3O4S/c1-7-13(8-2-3-10-11(4-8)22-15(21)17-10)18-6-9(5-12(19)20)16-14(18)23-7/h2-4,6H,5H2,1H3,(H,17,21)(H,19,20)
InChIKeyRDDYICYUWXZNIX-UHFFFAOYSA-N
XLogP2.43
TPSA100.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one
CID 39197288
2,3-dimethyl-6-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39200863
N-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide
CID 82342362
6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 82068607
4-(2-oxo-3H-1,3-benzoxazol-6-yl)benzoic acid
CID 22730479
6-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-3H-1,3-benzoxazol-2-one
CID 116893854
2-[2-ethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
CID 82035729
6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one
CID 83779516
6-(4-sulfanyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one
CID 116889686
[2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 82061892
6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 17456976
2-[[2-chloro-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]-methylamino]acetic acid
CID 82214972

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid?
The IUPAC name of 2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid (CID 39200811) is 2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid.
What is the SMILES notation for 2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid?
The canonical SMILES for 2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid is Cc1sc2nc(CC(=O)O)cn2c1-c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid?
The InChIKey is RDDYICYUWXZNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S/c1-7-13(8-2-3-10-11(4-8)22-15(21)17-10)18-6-9(5-12(19)20)16-14(18)23-7/h2-4,6H,5H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid?
2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid has a molecular weight of 329.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid is sourced from PubChem (CID 39200811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).