N-(2-ethylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide

C22H23N3O2S — CID 50765974

IUPACN-(2-ethylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide
SMILESCCc1ccccc1NC(=O)C1CC2CSCN2C12C(=O)Nc1ccccc12
InChIInChI=1S/C22H23N3O2S/c1-2-14-7-3-5-9-18(14)23-20(26)17-11-15-12-28-13-25(15)22(17)16-8-4-6-10-19(16)24-21(22)27/h3-10,15,17H,2,11-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyVUJPEZHPMKLEDB-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.43
Rot. Bonds3

About N-(2-ethylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide

N-(2-ethylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide (PubChem CID 50765974) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide
PubChem CID50765974
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-(2-ethylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide
SMILESCCc1ccccc1NC(=O)C1CC2CSCN2C12C(=O)Nc1ccccc12
InChIInChI=1S/C22H23N3O2S/c1-2-14-7-3-5-9-18(14)23-20(26)17-11-15-12-28-13-25(15)22(17)16-8-4-6-10-19(16)24-21(22)27/h3-10,15,17H,2,11-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyVUJPEZHPMKLEDB-UHFFFAOYSA-N
XLogP3.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-ethylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide (CID 50765974) is N-(2-ethylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide is CCc1ccccc1NC(=O)C1CC2CSCN2C12C(=O)Nc1ccccc12.
What is the InChIKey of N-(2-ethylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide?
The InChIKey is VUJPEZHPMKLEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-2-14-7-3-5-9-18(14)23-20(26)17-11-15-12-28-13-25(15)22(17)16-8-4-6-10-19(16)24-21(22)27/h3-10,15,17H,2,11-13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(2-ethylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide?
N-(2-ethylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-oxospiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxamide is sourced from PubChem (CID 50765974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).