2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-isoindole-5-carboxamide

C20H24N4O2S — CID 95881028

IUPAC2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-isoindole-5-carboxamide
SMILESCCN1CCC[C@@H]1CN1Cc2ccc(C(=O)NCc3nccs3)cc2C1=O
InChIInChI=1S/C20H24N4O2S/c1-2-23-8-3-4-16(23)13-24-12-15-6-5-14(10-17(15)20(24)26)19(25)22-11-18-21-7-9-27-18/h5-7,9-10,16H,2-4,8,11-13H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyQSSLQQJKQPBOSF-MRXNPFEDSA-N
MW384.51 g/mol
LogP2.51
Rot. Bonds6

About 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-isoindole-5-carboxamide

2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-isoindole-5-carboxamide (PubChem CID 95881028) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-isoindole-5-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-isoindole-5-carboxamide
PubChem CID95881028
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-isoindole-5-carboxamide
SMILESCCN1CCC[C@@H]1CN1Cc2ccc(C(=O)NCc3nccs3)cc2C1=O
InChIInChI=1S/C20H24N4O2S/c1-2-23-8-3-4-16(23)13-24-12-15-6-5-14(10-17(15)20(24)26)19(25)22-11-18-21-7-9-27-18/h5-7,9-10,16H,2-4,8,11-13H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyQSSLQQJKQPBOSF-MRXNPFEDSA-N
XLogP2.51
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-isoindole-5-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 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-isoindole-5-carboxamide?
The IUPAC name of 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-isoindole-5-carboxamide (CID 95881028) is 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-isoindole-5-carboxamide.
What is the SMILES notation for 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-isoindole-5-carboxamide?
The canonical SMILES for 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-isoindole-5-carboxamide is CCN1CCC[C@@H]1CN1Cc2ccc(C(=O)NCc3nccs3)cc2C1=O.
What is the InChIKey of 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-isoindole-5-carboxamide?
The InChIKey is QSSLQQJKQPBOSF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-2-23-8-3-4-16(23)13-24-12-15-6-5-14(10-17(15)20(24)26)19(25)22-11-18-21-7-9-27-18/h5-7,9-10,16H,2-4,8,11-13H2,1H3,(H,22,25)/t16-/m1/s1.
What are the key properties of 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-isoindole-5-carboxamide?
2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-isoindole-5-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-isoindole-5-carboxamide is sourced from PubChem (CID 95881028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).