[(2R)-8-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone

C18H15ClN4O2S — CID 124726444

IUPAC[(2R)-8-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC[C@@H]1CN(C(=O)c2csc(-c3cnccn3)n2)c2cccc(Cl)c2O1
InChIInChI=1S/C18H15ClN4O2S/c1-2-11-9-23(15-5-3-4-12(19)16(15)25-11)18(24)14-10-26-17(22-14)13-8-20-6-7-21-13/h3-8,10-11H,2,9H2,1H3/t11-/m1/s1
InChIKeyBVAOWQIYOZVKKL-LLVKDONJSA-N
MW386.86 g/mol
LogP4.07
Rot. Bonds3

About [(2R)-8-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone

[(2R)-8-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 124726444) has the molecular formula C18H15ClN4O2S and a molecular weight of 386.86 g/mol. Its IUPAC name is [(2R)-8-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-8-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID124726444
Molecular FormulaC18H15ClN4O2S
Molecular Weight386.86 g/mol
Exact Mass386.06
IUPAC Name[(2R)-8-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC[C@@H]1CN(C(=O)c2csc(-c3cnccn3)n2)c2cccc(Cl)c2O1
InChIInChI=1S/C18H15ClN4O2S/c1-2-11-9-23(15-5-3-4-12(19)16(15)25-11)18(24)14-10-26-17(22-14)13-8-20-6-7-21-13/h3-8,10-11H,2,9H2,1H3/t11-/m1/s1
InChIKeyBVAOWQIYOZVKKL-LLVKDONJSA-N
XLogP4.07
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-8-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone 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 [(2R)-8-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2R)-8-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone (CID 124726444) is [(2R)-8-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2R)-8-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2R)-8-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone is CC[C@@H]1CN(C(=O)c2csc(-c3cnccn3)n2)c2cccc(Cl)c2O1.
What is the InChIKey of [(2R)-8-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is BVAOWQIYOZVKKL-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15ClN4O2S/c1-2-11-9-23(15-5-3-4-12(19)16(15)25-11)18(24)14-10-26-17(22-14)13-8-20-6-7-21-13/h3-8,10-11H,2,9H2,1H3/t11-/m1/s1.
What are the key properties of [(2R)-8-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
[(2R)-8-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 386.86 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-8-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 124726444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).