N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

C19H23N3O4S — CID 4964467

IUPACN-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
SMILESCC(NC(=O)C1CSC2c3ccccc3C(=O)N12)C(=O)N1CCCC1CO
InChIInChI=1S/C19H23N3O4S/c1-11(17(25)21-8-4-5-12(21)9-23)20-16(24)15-10-27-19-14-7-3-2-6-13(14)18(26)22(15)19/h2-3,6-7,11-12,15,19,23H,4-5,8-10H2,1H3,(H,20,24)
InChIKeyIBRAHUWEFRAUBS-UHFFFAOYSA-N
MW389.48 g/mol
LogP0.74
Rot. Bonds4

About N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide (PubChem CID 4964467) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
PubChem CID4964467
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
SMILESCC(NC(=O)C1CSC2c3ccccc3C(=O)N12)C(=O)N1CCCC1CO
InChIInChI=1S/C19H23N3O4S/c1-11(17(25)21-8-4-5-12(21)9-23)20-16(24)15-10-27-19-14-7-3-2-6-13(14)18(26)22(15)19/h2-3,6-7,11-12,15,19,23H,4-5,8-10H2,1H3,(H,20,24)
InChIKeyIBRAHUWEFRAUBS-UHFFFAOYSA-N
XLogP0.74
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The IUPAC name of N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide (CID 4964467) is N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide.
What is the SMILES notation for N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The canonical SMILES for N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is CC(NC(=O)C1CSC2c3ccccc3C(=O)N12)C(=O)N1CCCC1CO.
What is the InChIKey of N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
The InChIKey is IBRAHUWEFRAUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-11(17(25)21-8-4-5-12(21)9-23)20-16(24)15-10-27-19-14-7-3-2-6-13(14)18(26)22(15)19/h2-3,6-7,11-12,15,19,23H,4-5,8-10H2,1H3,(H,20,24).
What are the key properties of N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?
N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is sourced from PubChem (CID 4964467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).