(3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one

C18H13BrN2OS — CID 9421303

IUPAC(3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one
SMILESC[C@@H]1C(=O)Nc2ccc(-c3csc(-c4cccc(Br)c4)n3)cc21
InChIInChI=1S/C18H13BrN2OS/c1-10-14-8-11(5-6-15(14)20-17(10)22)16-9-23-18(21-16)12-3-2-4-13(19)7-12/h2-10H,1H3,(H,20,22)/t10-/m0/s1
InChIKeyOPWUKLVOMKQMOX-JTQLQIEISA-N
MW385.29 g/mol
LogP5.30
Rot. Bonds2

About (3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one

(3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one (PubChem CID 9421303) has the molecular formula C18H13BrN2OS and a molecular weight of 385.29 g/mol. Its IUPAC name is (3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one
PubChem CID9421303
Molecular FormulaC18H13BrN2OS
Molecular Weight385.29 g/mol
Exact Mass383.99
IUPAC Name(3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one
SMILESC[C@@H]1C(=O)Nc2ccc(-c3csc(-c4cccc(Br)c4)n3)cc21
InChIInChI=1S/C18H13BrN2OS/c1-10-14-8-11(5-6-15(14)20-17(10)22)16-9-23-18(21-16)12-3-2-4-13(19)7-12/h2-10H,1H3,(H,20,22)/t10-/m0/s1
InChIKeyOPWUKLVOMKQMOX-JTQLQIEISA-N
XLogP5.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.29
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one (CID 9421303) is (3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one is C[C@@H]1C(=O)Nc2ccc(-c3csc(-c4cccc(Br)c4)n3)cc21.
What is the InChIKey of (3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is OPWUKLVOMKQMOX-JTQLQIEISA-N. The full InChI is InChI=1S/C18H13BrN2OS/c1-10-14-8-11(5-6-15(14)20-17(10)22)16-9-23-18(21-16)12-3-2-4-13(19)7-12/h2-10H,1H3,(H,20,22)/t10-/m0/s1.
What are the key properties of (3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one?
(3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 385.29 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 9421303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).