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

C19H16N2OS — CID 9421764

IUPAC(3R)-3-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
SMILESCc1cccc(-c2nc(-c3ccc4c(c3)[C@@H](C)C(=O)N4)cs2)c1
InChIInChI=1S/C19H16N2OS/c1-11-4-3-5-14(8-11)19-21-17(10-23-19)13-6-7-16-15(9-13)12(2)18(22)20-16/h3-10,12H,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyUGYYWYOQRPVHBJ-GFCCVEGCSA-N
MW320.42 g/mol
LogP4.84
Rot. Bonds2

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

(3R)-3-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one (PubChem CID 9421764) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is (3R)-3-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
PubChem CID9421764
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name(3R)-3-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
SMILESCc1cccc(-c2nc(-c3ccc4c(c3)[C@@H](C)C(=O)N4)cs2)c1
InChIInChI=1S/C19H16N2OS/c1-11-4-3-5-14(8-11)19-21-17(10-23-19)13-6-7-16-15(9-13)12(2)18(22)20-16/h3-10,12H,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyUGYYWYOQRPVHBJ-GFCCVEGCSA-N
XLogP4.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-3-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one (CID 9421764) is (3R)-3-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-3-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-3-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one is Cc1cccc(-c2nc(-c3ccc4c(c3)[C@@H](C)C(=O)N4)cs2)c1.
What is the InChIKey of (3R)-3-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is UGYYWYOQRPVHBJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-11-4-3-5-14(8-11)19-21-17(10-23-19)13-6-7-16-15(9-13)12(2)18(22)20-16/h3-10,12H,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (3R)-3-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
(3R)-3-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 320.42 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 9421764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).