(3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one

C17H18N4O2S — CID 129369125

IUPAC(3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2[C@H]1CC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H18N4O2S/c22-15(11-13-12-3-1-2-4-14(12)19-16(13)23)20-6-8-21(9-7-20)17-18-5-10-24-17/h1-5,10,13H,6-9,11H2,(H,19,23)/t13-/m1/s1
InChIKeyDDMUSOMNOSWFBH-CYBMUJFWSA-N
MW342.42 g/mol
LogP1.92
Rot. Bonds3

About (3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one

(3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one (PubChem CID 129369125) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is (3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
PubChem CID129369125
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2[C@H]1CC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H18N4O2S/c22-15(11-13-12-3-1-2-4-14(12)19-16(13)23)20-6-8-21(9-7-20)17-18-5-10-24-17/h1-5,10,13H,6-9,11H2,(H,19,23)/t13-/m1/s1
InChIKeyDDMUSOMNOSWFBH-CYBMUJFWSA-N
XLogP1.92
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one (CID 129369125) is (3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2[C@H]1CC(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of (3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The InChIKey is DDMUSOMNOSWFBH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-15(11-13-12-3-1-2-4-14(12)19-16(13)23)20-6-8-21(9-7-20)17-18-5-10-24-17/h1-5,10,13H,6-9,11H2,(H,19,23)/t13-/m1/s1.
What are the key properties of (3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one?
(3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one has a molecular weight of 342.42 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 129369125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).