6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3,10-dimethyl-6H-indolo[1,2-c][1,3]benzoxazine

C23H19FN2OS — CID 118532056

IUPAC6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3,10-dimethyl-6H-indolo[1,2-c][1,3]benzoxazine
SMILESCc1cc(F)c2c(c1)OC(c1cnc(C3CC3)s1)n1c-2cc2cc(C)ccc21
InChIInChI=1S/C23H19FN2OS/c1-12-3-6-17-15(7-12)10-18-21-16(24)8-13(2)9-19(21)27-23(26(17)18)20-11-25-22(28-20)14-4-5-14/h3,6-11,14,23H,4-5H2,1-2H3
InChIKeyHGEIZKJHRPIQLS-UHFFFAOYSA-N
MW390.48 g/mol
LogP6.34
Rot. Bonds2

About 6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3,10-dimethyl-6H-indolo[1,2-c][1,3]benzoxazine

6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3,10-dimethyl-6H-indolo[1,2-c][1,3]benzoxazine (PubChem CID 118532056) has the molecular formula C23H19FN2OS and a molecular weight of 390.48 g/mol. Its IUPAC name is 6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3,10-dimethyl-6H-indolo[1,2-c][1,3]benzoxazine.

Molecular Properties

Compound Name6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3,10-dimethyl-6H-indolo[1,2-c][1,3]benzoxazine
PubChem CID118532056
Molecular FormulaC23H19FN2OS
Molecular Weight390.48 g/mol
Exact Mass390.12
IUPAC Name6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3,10-dimethyl-6H-indolo[1,2-c][1,3]benzoxazine
SMILESCc1cc(F)c2c(c1)OC(c1cnc(C3CC3)s1)n1c-2cc2cc(C)ccc21
InChIInChI=1S/C23H19FN2OS/c1-12-3-6-17-15(7-12)10-18-21-16(24)8-13(2)9-19(21)27-23(26(17)18)20-11-25-22(28-20)14-4-5-14/h3,6-11,14,23H,4-5H2,1-2H3
InChIKeyHGEIZKJHRPIQLS-UHFFFAOYSA-N
XLogP6.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3,10-dimethyl-6H-indolo[1,2-c][1,3]benzoxazine?
The IUPAC name of 6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3,10-dimethyl-6H-indolo[1,2-c][1,3]benzoxazine (CID 118532056) is 6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3,10-dimethyl-6H-indolo[1,2-c][1,3]benzoxazine.
What is the SMILES notation for 6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3,10-dimethyl-6H-indolo[1,2-c][1,3]benzoxazine?
The canonical SMILES for 6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3,10-dimethyl-6H-indolo[1,2-c][1,3]benzoxazine is Cc1cc(F)c2c(c1)OC(c1cnc(C3CC3)s1)n1c-2cc2cc(C)ccc21.
What is the InChIKey of 6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3,10-dimethyl-6H-indolo[1,2-c][1,3]benzoxazine?
The InChIKey is HGEIZKJHRPIQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2OS/c1-12-3-6-17-15(7-12)10-18-21-16(24)8-13(2)9-19(21)27-23(26(17)18)20-11-25-22(28-20)14-4-5-14/h3,6-11,14,23H,4-5H2,1-2H3.
What are the key properties of 6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3,10-dimethyl-6H-indolo[1,2-c][1,3]benzoxazine?
6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3,10-dimethyl-6H-indolo[1,2-c][1,3]benzoxazine has a molecular weight of 390.48 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3,10-dimethyl-6H-indolo[1,2-c][1,3]benzoxazine is sourced from PubChem (CID 118532056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).