3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one

C16H11BrN2OS2 — CID 3332829

IUPAC3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Br)cc2)N1c1nc2ccccc2s1
InChIInChI=1S/C16H11BrN2OS2/c17-11-7-5-10(6-8-11)15-19(14(20)9-21-15)16-18-12-3-1-2-4-13(12)22-16/h1-8,15H,9H2
InChIKeyURVIYCUUDYECQL-UHFFFAOYSA-N
MW391.32 g/mol
LogP4.84
Rot. Bonds2

About 3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one

3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one (PubChem CID 3332829) has the molecular formula C16H11BrN2OS2 and a molecular weight of 391.32 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one
PubChem CID3332829
Molecular FormulaC16H11BrN2OS2
Molecular Weight391.32 g/mol
Exact Mass389.95
IUPAC Name3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Br)cc2)N1c1nc2ccccc2s1
InChIInChI=1S/C16H11BrN2OS2/c17-11-7-5-10(6-8-11)15-19(14(20)9-21-15)16-18-12-3-1-2-4-13(12)22-16/h1-8,15H,9H2
InChIKeyURVIYCUUDYECQL-UHFFFAOYSA-N
XLogP4.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

S-(1,3-benzothiazol-2-yl) 2-[[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]ethanethioate
CID 11340585
3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 155925204
3-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 155924849
2-(4-chlorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-1,3-thiazolidin-4-one
CID 155924706
(2S)-2-(4-bromophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 690197
3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one
CID 70624053
3-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3858882
(2R)-2-(4-bromophenyl)-3-(2-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 27566937
(4R)-1-(1,3-benzothiazol-2-yl)-4-(4-bromophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871237
3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 24825214
2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 11842555
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one (CID 3332829) is 3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Br)cc2)N1c1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one?
The InChIKey is URVIYCUUDYECQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2OS2/c17-11-7-5-10(6-8-11)15-19(14(20)9-21-15)16-18-12-3-1-2-4-13(12)22-16/h1-8,15H,9H2.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one?
3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one has a molecular weight of 391.32 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3332829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).