N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide

C23H29N3O3S — CID 51054817

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
SMILESCCc1nc(NC(=O)C2c3ccccc3C(=O)N(CCOC)C23CCCC3)sc1C
InChIInChI=1S/C23H29N3O3S/c1-4-18-15(2)30-22(24-18)25-20(27)19-16-9-5-6-10-17(16)21(28)26(13-14-29-3)23(19)11-7-8-12-23/h5-6,9-10,19H,4,7-8,11-14H2,1-3H3,(H,24,25,27)
InChIKeyCNNWYBMQXRSZNB-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.15
Rot. Bonds6

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide (PubChem CID 51054817) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
PubChem CID51054817
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
SMILESCCc1nc(NC(=O)C2c3ccccc3C(=O)N(CCOC)C23CCCC3)sc1C
InChIInChI=1S/C23H29N3O3S/c1-4-18-15(2)30-22(24-18)25-20(27)19-16-9-5-6-10-17(16)21(28)26(13-14-29-3)23(19)11-7-8-12-23/h5-6,9-10,19H,4,7-8,11-14H2,1-3H3,(H,24,25,27)
InChIKeyCNNWYBMQXRSZNB-UHFFFAOYSA-N
XLogP4.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-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-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide (CID 51054817) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide is CCc1nc(NC(=O)C2c3ccccc3C(=O)N(CCOC)C23CCCC3)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
The InChIKey is CNNWYBMQXRSZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-4-18-15(2)30-22(24-18)25-20(27)19-16-9-5-6-10-17(16)21(28)26(13-14-29-3)23(19)11-7-8-12-23/h5-6,9-10,19H,4,7-8,11-14H2,1-3H3,(H,24,25,27).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide is sourced from PubChem (CID 51054817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).