(3R,9bR)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

C16H18N2O3S — CID 7174786

IUPAC(3R,9bR)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N21
InChIInChI=1S/C16H18N2O3S/c19-14(17-8-10-4-3-7-21-10)13-9-22-16-12-6-2-1-5-11(12)15(20)18(13)16/h1-2,5-6,10,13,16H,3-4,7-9H2,(H,17,19)/t10-,13-,16+/m0/s1
InChIKeyXJIGKVDNTOPGND-YNZJMPHRSA-N
MW318.40 g/mol
LogP1.55
Rot. Bonds3

About (3R,9bR)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

(3R,9bR)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide (PubChem CID 7174786) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is (3R,9bR)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide.

Molecular Properties

Compound Name(3R,9bR)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
PubChem CID7174786
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name(3R,9bR)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N21
InChIInChI=1S/C16H18N2O3S/c19-14(17-8-10-4-3-7-21-10)13-9-22-16-12-6-2-1-5-11(12)15(20)18(13)16/h1-2,5-6,10,13,16H,3-4,7-9H2,(H,17,19)/t10-,13-,16+/m0/s1
InChIKeyXJIGKVDNTOPGND-YNZJMPHRSA-N
XLogP1.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,9bS)-N-[(2S,3R)-3-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 41075600
2-cyclopentyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide
CID 4644788
5-oxo-N-(thiophen-2-ylmethyl)-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 3531897
(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
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 3822912
(3R,9bS)-5-oxo-N-[(1S)-1-phenylethyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7740201
(4S)-2-benzyl-1-oxo-N-[[(2S)-oxolan-2-yl]methyl]spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 95792434
N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 752957
2-(furan-2-ylmethyl)-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide
CID 4196722
(4R)-2-[(2R)-butan-2-yl]-1-oxo-N-[[(2S)-oxolan-2-yl]methyl]spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
CID 95391569
(3R,9bS)-5-oxo-N-pyridin-3-yl-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 41063357

Frequently Asked Questions

What is the IUPAC name of (3R,9bR)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The IUPAC name of (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) is (3R,9bR)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide.
What is the SMILES notation for (3R,9bR)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The canonical SMILES for (3R,9bR)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is O=C(NC[C@@H]1CCCO1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N21.
What is the InChIKey of (3R,9bR)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The InChIKey is XJIGKVDNTOPGND-YNZJMPHRSA-N. The full InChI is InChI=1S/C16H18N2O3S/c19-14(17-8-10-4-3-7-21-10)13-9-22-16-12-6-2-1-5-11(12)15(20)18(13)16/h1-2,5-6,10,13,16H,3-4,7-9H2,(H,17,19)/t10-,13-,16+/m0/s1.
What are the key properties of (3R,9bR)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
(3R,9bR)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,9bR)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is sourced from PubChem (CID 7174786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).