(3R,9bS)-N-morpholin-4-yl-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

C15H17N3O3S — CID 6578144

IUPAC(3R,9bS)-N-morpholin-4-yl-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
SMILESO=C(NN1CCOCC1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12
InChIInChI=1S/C15H17N3O3S/c19-13(16-17-5-7-21-8-6-17)12-9-22-15-11-4-2-1-3-10(11)14(20)18(12)15/h1-4,12,15H,5-9H2,(H,16,19)/t12-,15-/m0/s1
InChIKeyUNTAXMFJCYVDKL-WFASDCNBSA-N
MW319.39 g/mol
LogP0.62
Rot. Bonds2

About (3R,9bS)-N-morpholin-4-yl-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

(3R,9bS)-N-morpholin-4-yl-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide (PubChem CID 6578144) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (3R,9bS)-N-morpholin-4-yl-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide.

Molecular Properties

Compound Name(3R,9bS)-N-morpholin-4-yl-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
PubChem CID6578144
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(3R,9bS)-N-morpholin-4-yl-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
SMILESO=C(NN1CCOCC1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12
InChIInChI=1S/C15H17N3O3S/c19-13(16-17-5-7-21-8-6-17)12-9-22-15-11-4-2-1-3-10(11)14(20)18(12)15/h1-4,12,15H,5-9H2,(H,16,19)/t12-,15-/m0/s1
InChIKeyUNTAXMFJCYVDKL-WFASDCNBSA-N
XLogP0.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,9bS)-5-oxo-N-propan-2-yl-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7720982
5-oxo-N-propan-2-yl-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 3765433
(3S,9bR)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxylic acid
CID 816141
(3R,9bR)-N-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7174922
(3R,9bS)-N-[(2R)-butan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7735025
N-benzyl-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 3810123
N-(3-hydroxyphenyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 45370833
(2S)-2-[[(3R,9bS)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carbonyl]amino]-3-methylbutanoic acid
CID 7096227
5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 3531897
(2S)-2-[[(3R,9bS)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carbonyl]amino]propanoic acid
CID 7094326
(2S,3S)-2-[[(3R,9bS)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carbonyl]amino]-3-hydroxybutanoic acid
CID 7094915
(3R,9bR)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7174786

Frequently Asked Questions

What is the IUPAC name of (3R,9bS)-N-morpholin-4-yl-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The IUPAC name of (3R,9bS)-N-morpholin-4-yl-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide (CID 6578144) is (3R,9bS)-N-morpholin-4-yl-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide.
What is the SMILES notation for (3R,9bS)-N-morpholin-4-yl-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The canonical SMILES for (3R,9bS)-N-morpholin-4-yl-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is O=C(NN1CCOCC1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12.
What is the InChIKey of (3R,9bS)-N-morpholin-4-yl-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The InChIKey is UNTAXMFJCYVDKL-WFASDCNBSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-13(16-17-5-7-21-8-6-17)12-9-22-15-11-4-2-1-3-10(11)14(20)18(12)15/h1-4,12,15H,5-9H2,(H,16,19)/t12-,15-/m0/s1.
What are the key properties of (3R,9bS)-N-morpholin-4-yl-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
(3R,9bS)-N-morpholin-4-yl-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,9bS)-N-morpholin-4-yl-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is sourced from PubChem (CID 6578144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).