8-(4-bromophenyl)-2-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole

C18H17BrN2OS — CID 23641192

IUPAC8-(4-bromophenyl)-2-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
SMILESCC(C)(C)c1nc2c(s1)CCc1onc(-c3ccc(Br)cc3)c1-2
InChIInChI=1S/C18H17BrN2OS/c1-18(2,3)17-20-16-13(23-17)9-8-12-14(16)15(21-22-12)10-4-6-11(19)7-5-10/h4-7H,8-9H2,1-3H3
InChIKeyUKJJOFRSKHAAFD-UHFFFAOYSA-N
MW389.32 g/mol
LogP5.62
Rot. Bonds1

About 8-(4-bromophenyl)-2-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole

8-(4-bromophenyl)-2-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole (PubChem CID 23641192) has the molecular formula C18H17BrN2OS and a molecular weight of 389.32 g/mol. Its IUPAC name is 8-(4-bromophenyl)-2-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole.

Molecular Properties

Compound Name8-(4-bromophenyl)-2-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
PubChem CID23641192
Molecular FormulaC18H17BrN2OS
Molecular Weight389.32 g/mol
Exact Mass388.02
IUPAC Name8-(4-bromophenyl)-2-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
SMILESCC(C)(C)c1nc2c(s1)CCc1onc(-c3ccc(Br)cc3)c1-2
InChIInChI=1S/C18H17BrN2OS/c1-18(2,3)17-20-16-13(23-17)9-8-12-14(16)15(21-22-12)10-4-6-11(19)7-5-10/h4-7H,8-9H2,1-3H3
InChIKeyUKJJOFRSKHAAFD-UHFFFAOYSA-N
XLogP5.62
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.32
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(4-bromophenyl)-2-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(4-Bromophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 23641194
8-(4-Methoxyphenyl)-2-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24747776
8-(4-Methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24747779
2-(4-Bromophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24747812
8-(4-Methoxyphenyl)-2-(3-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24789517
2-Cyclohexyl-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24789518
8-(4-Methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24747813
8-(4-Bromophenyl)-2-(3-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24793374
8-(4-Chlorophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 23640973
8-(3-Nitrophenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 23641009
8-(3-Nitrophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 23641010
8-(4-Chlorophenyl)-2-ethyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 23641035

Frequently Asked Questions

What is the IUPAC name of 8-(4-bromophenyl)-2-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The IUPAC name of 8-(4-bromophenyl)-2-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole (CID 23641192) is 8-(4-bromophenyl)-2-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole.
What is the SMILES notation for 8-(4-bromophenyl)-2-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The canonical SMILES for 8-(4-bromophenyl)-2-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole is CC(C)(C)c1nc2c(s1)CCc1onc(-c3ccc(Br)cc3)c1-2.
What is the InChIKey of 8-(4-bromophenyl)-2-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The InChIKey is UKJJOFRSKHAAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2OS/c1-18(2,3)17-20-16-13(23-17)9-8-12-14(16)15(21-22-12)10-4-6-11(19)7-5-10/h4-7H,8-9H2,1-3H3.
What are the key properties of 8-(4-bromophenyl)-2-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
8-(4-bromophenyl)-2-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole has a molecular weight of 389.32 g/mol, XLogP of 5.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromophenyl)-2-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole is sourced from PubChem (CID 23641192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).