(3R)-N-[(2S,3R)-1-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

C24H35N3O4S — CID 56951774

IUPAC(3R)-N-[(2S,3R)-1-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
SMILESCC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3C2SC1(C)C)C(=O)N[C@@H](CO)C(C)C
InChIInChI=1S/C24H35N3O4S/c1-7-14(4)18(20(29)25-17(12-28)13(2)3)26-21(30)19-24(5,6)32-23-16-11-9-8-10-15(16)22(31)27(19)23/h8-11,13-14,17-19,23,28H,7,12H2,1-6H3,(H,25,29)(H,26,30)/t14-,17+,18+,19-,23?/m1/s1
InChIKeyJCRXZYXHLMRZCR-KSUISFKPSA-N
MW461.63 g/mol
LogP2.70
Rot. Bonds8

About (3R)-N-[(2S,3R)-1-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

(3R)-N-[(2S,3R)-1-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide (PubChem CID 56951774) has the molecular formula C24H35N3O4S and a molecular weight of 461.63 g/mol. Its IUPAC name is (3R)-N-[(2S,3R)-1-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S,3R)-1-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
PubChem CID56951774
Molecular FormulaC24H35N3O4S
Molecular Weight461.63 g/mol
Exact Mass461.23
IUPAC Name(3R)-N-[(2S,3R)-1-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
SMILESCC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3C2SC1(C)C)C(=O)N[C@@H](CO)C(C)C
InChIInChI=1S/C24H35N3O4S/c1-7-14(4)18(20(29)25-17(12-28)13(2)3)26-21(30)19-24(5,6)32-23-16-11-9-8-10-15(16)22(31)27(19)23/h8-11,13-14,17-19,23,28H,7,12H2,1-6H3,(H,25,29)(H,26,30)/t14-,17+,18+,19-,23?/m1/s1
InChIKeyJCRXZYXHLMRZCR-KSUISFKPSA-N
XLogP2.70
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(2S,3R)-1-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S,3R)-1-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The IUPAC name of (3R)-N-[(2S,3R)-1-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide (CID 56951774) is (3R)-N-[(2S,3R)-1-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S,3R)-1-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S,3R)-1-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3C2SC1(C)C)C(=O)N[C@@H](CO)C(C)C.
What is the InChIKey of (3R)-N-[(2S,3R)-1-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The InChIKey is JCRXZYXHLMRZCR-KSUISFKPSA-N. The full InChI is InChI=1S/C24H35N3O4S/c1-7-14(4)18(20(29)25-17(12-28)13(2)3)26-21(30)19-24(5,6)32-23-16-11-9-8-10-15(16)22(31)27(19)23/h8-11,13-14,17-19,23,28H,7,12H2,1-6H3,(H,25,29)(H,26,30)/t14-,17+,18+,19-,23?/m1/s1.
What are the key properties of (3R)-N-[(2S,3R)-1-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
(3R)-N-[(2S,3R)-1-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide has a molecular weight of 461.63 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S,3R)-1-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is sourced from PubChem (CID 56951774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).