3-bromo-10-chloro-6-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-1-fluoro-6H-indolo[1,2-c][1,3]benzoxazine

C22H15BrClFN2OS — CID 118532267

IUPAC3-bromo-10-chloro-6-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-1-fluoro-6H-indolo[1,2-c][1,3]benzoxazine
SMILESFc1cc(Br)cc2c1-c1cc3cc(Cl)ccc3n1C(c1cnc(CC3CC3)s1)O2
InChIInChI=1S/C22H15BrClFN2OS/c23-13-8-15(25)21-17-7-12-6-14(24)3-4-16(12)27(17)22(28-18(21)9-13)19-10-26-20(29-19)5-11-1-2-11/h3-4,6-11,22H,1-2,5H2
InChIKeyWYDHWPRNIQITTH-UHFFFAOYSA-N
MW489.80 g/mol
LogP7.21
Rot. Bonds3

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

3-bromo-10-chloro-6-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-1-fluoro-6H-indolo[1,2-c][1,3]benzoxazine (PubChem CID 118532267) has the molecular formula C22H15BrClFN2OS and a molecular weight of 489.80 g/mol. Its IUPAC name is 3-bromo-10-chloro-6-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-1-fluoro-6H-indolo[1,2-c][1,3]benzoxazine.

Molecular Properties

Compound Name3-bromo-10-chloro-6-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-1-fluoro-6H-indolo[1,2-c][1,3]benzoxazine
PubChem CID118532267
Molecular FormulaC22H15BrClFN2OS
Molecular Weight489.80 g/mol
Exact Mass487.98
IUPAC Name3-bromo-10-chloro-6-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-1-fluoro-6H-indolo[1,2-c][1,3]benzoxazine
SMILESFc1cc(Br)cc2c1-c1cc3cc(Cl)ccc3n1C(c1cnc(CC3CC3)s1)O2
InChIInChI=1S/C22H15BrClFN2OS/c23-13-8-15(25)21-17-7-12-6-14(24)3-4-16(12)27(17)22(28-18(21)9-13)19-10-26-20(29-19)5-11-1-2-11/h3-4,6-11,22H,1-2,5H2
InChIKeyWYDHWPRNIQITTH-UHFFFAOYSA-N
XLogP7.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.80
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-bromo-10-chloro-6-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-1-fluoro-6H-indolo[1,2-c][1,3]benzoxazine 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 3-bromo-10-chloro-6-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-1-fluoro-6H-indolo[1,2-c][1,3]benzoxazine?
The IUPAC name of 3-bromo-10-chloro-6-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-1-fluoro-6H-indolo[1,2-c][1,3]benzoxazine (CID 118532267) is 3-bromo-10-chloro-6-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-1-fluoro-6H-indolo[1,2-c][1,3]benzoxazine.
What is the SMILES notation for 3-bromo-10-chloro-6-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-1-fluoro-6H-indolo[1,2-c][1,3]benzoxazine?
The canonical SMILES for 3-bromo-10-chloro-6-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-1-fluoro-6H-indolo[1,2-c][1,3]benzoxazine is Fc1cc(Br)cc2c1-c1cc3cc(Cl)ccc3n1C(c1cnc(CC3CC3)s1)O2.
What is the InChIKey of 3-bromo-10-chloro-6-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-1-fluoro-6H-indolo[1,2-c][1,3]benzoxazine?
The InChIKey is WYDHWPRNIQITTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrClFN2OS/c23-13-8-15(25)21-17-7-12-6-14(24)3-4-16(12)27(17)22(28-18(21)9-13)19-10-26-20(29-19)5-11-1-2-11/h3-4,6-11,22H,1-2,5H2.
What are the key properties of 3-bromo-10-chloro-6-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-1-fluoro-6H-indolo[1,2-c][1,3]benzoxazine?
3-bromo-10-chloro-6-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-1-fluoro-6H-indolo[1,2-c][1,3]benzoxazine has a molecular weight of 489.80 g/mol, XLogP of 7.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-10-chloro-6-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-1-fluoro-6H-indolo[1,2-c][1,3]benzoxazine is sourced from PubChem (CID 118532267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).