6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one

C19H15ClN2O2S — CID 3087432

IUPAC6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one
SMILESCCN1C(=O)COc2ccc(-c3csc(-c4ccc(Cl)cc4)n3)cc21
InChIInChI=1S/C19H15ClN2O2S/c1-2-22-16-9-13(5-8-17(16)24-10-18(22)23)15-11-25-19(21-15)12-3-6-14(20)7-4-12/h3-9,11H,2,10H2,1H3
InChIKeyLSJVAHRMSWZDDG-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.88
Rot. Bonds3

About 6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one

6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one (PubChem CID 3087432) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one
PubChem CID3087432
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one
SMILESCCN1C(=O)COc2ccc(-c3csc(-c4ccc(Cl)cc4)n3)cc21
InChIInChI=1S/C19H15ClN2O2S/c1-2-22-16-9-13(5-8-17(16)24-10-18(22)23)15-11-25-19(21-15)12-3-6-14(20)7-4-12/h3-9,11H,2,10H2,1H3
InChIKeyLSJVAHRMSWZDDG-UHFFFAOYSA-N
XLogP4.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one (CID 3087432) is 6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one is CCN1C(=O)COc2ccc(-c3csc(-c4ccc(Cl)cc4)n3)cc21.
What is the InChIKey of 6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one?
The InChIKey is LSJVAHRMSWZDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c1-2-22-16-9-13(5-8-17(16)24-10-18(22)23)15-11-25-19(21-15)12-3-6-14(20)7-4-12/h3-9,11H,2,10H2,1H3.
What are the key properties of 6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one?
6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one has a molecular weight of 370.86 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 3087432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).