2-[2-ethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid

C18H17N3O4S — CID 82035729

IUPAC2-[2-ethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
SMILESCCc1sc2nc(CC(=O)O)cn2c1-c1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C18H17N3O4S/c1-3-14-17(21-8-11(7-16(23)24)19-18(21)26-14)10-4-5-13-12(6-10)20(2)15(22)9-25-13/h4-6,8H,3,7,9H2,1-2H3,(H,23,24)
InChIKeyCXTXRRSSKMJJCY-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.61
Rot. Bonds4

About 2-[2-ethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid

2-[2-ethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid (PubChem CID 82035729) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[2-ethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid.

Molecular Properties

Compound Name2-[2-ethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
PubChem CID82035729
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name2-[2-ethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
SMILESCCc1sc2nc(CC(=O)O)cn2c1-c1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C18H17N3O4S/c1-3-14-17(21-8-11(7-16(23)24)19-18(21)26-14)10-4-5-13-12(6-10)20(2)15(22)9-25-13/h4-6,8H,3,7,9H2,1-2H3,(H,23,24)
InChIKeyCXTXRRSSKMJJCY-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-ethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid?
The IUPAC name of 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) is 2-[2-ethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid.
What is the SMILES notation for 2-[2-ethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid?
The canonical SMILES for 2-[2-ethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid is CCc1sc2nc(CC(=O)O)cn2c1-c1ccc2c(c1)N(C)C(=O)CO2.
What is the InChIKey of 2-[2-ethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid?
The InChIKey is CXTXRRSSKMJJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-3-14-17(21-8-11(7-16(23)24)19-18(21)26-14)10-4-5-13-12(6-10)20(2)15(22)9-25-13/h4-6,8H,3,7,9H2,1-2H3,(H,23,24).
What are the key properties of 2-[2-ethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid?
2-[2-ethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid has a molecular weight of 371.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid is sourced from PubChem (CID 82035729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).