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

C17H15N3OS2 — CID 9422912

IUPAC(3R)-3-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
SMILESCc1csc(Cc2nc(-c3ccc4c(c3)[C@@H](C)C(=O)N4)cs2)n1
InChIInChI=1S/C17H15N3OS2/c1-9-7-22-15(18-9)6-16-19-14(8-23-16)11-3-4-13-12(5-11)10(2)17(21)20-13/h3-5,7-8,10H,6H2,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyNEEMRKABEMGCHF-SNVBAGLBSA-N
MW341.46 g/mol
LogP4.22
Rot. Bonds3

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

(3R)-3-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one (PubChem CID 9422912) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (3R)-3-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
PubChem CID9422912
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC Name(3R)-3-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
SMILESCc1csc(Cc2nc(-c3ccc4c(c3)[C@@H](C)C(=O)N4)cs2)n1
InChIInChI=1S/C17H15N3OS2/c1-9-7-22-15(18-9)6-16-19-14(8-23-16)11-3-4-13-12(5-11)10(2)17(21)20-13/h3-5,7-8,10H,6H2,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyNEEMRKABEMGCHF-SNVBAGLBSA-N
XLogP4.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-3-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one (CID 9422912) is (3R)-3-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-3-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-3-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one is Cc1csc(Cc2nc(-c3ccc4c(c3)[C@@H](C)C(=O)N4)cs2)n1.
What is the InChIKey of (3R)-3-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is NEEMRKABEMGCHF-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15N3OS2/c1-9-7-22-15(18-9)6-16-19-14(8-23-16)11-3-4-13-12(5-11)10(2)17(21)20-13/h3-5,7-8,10H,6H2,1-2H3,(H,20,21)/t10-/m1/s1.
What are the key properties of (3R)-3-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
(3R)-3-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 341.46 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 9422912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).