6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide

C20H17IN2OS — CID 76581944

IUPAC6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
SMILESCC1(C(=O)Nc2nccs2)Cc2ccc(I)cc2C1c1ccccc1
InChIInChI=1S/C20H17IN2OS/c1-20(18(24)23-19-22-9-10-25-19)12-14-7-8-15(21)11-16(14)17(20)13-5-3-2-4-6-13/h2-11,17H,12H2,1H3,(H,22,23,24)
InChIKeyJEFYKVRJWJYJNZ-UHFFFAOYSA-N
MW460.34 g/mol
LogP5.08
Rot. Bonds3

About 6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide

6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide (PubChem CID 76581944) has the molecular formula C20H17IN2OS and a molecular weight of 460.34 g/mol. Its IUPAC name is 6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
PubChem CID76581944
Molecular FormulaC20H17IN2OS
Molecular Weight460.34 g/mol
Exact Mass460.01
IUPAC Name6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
SMILESCC1(C(=O)Nc2nccs2)Cc2ccc(I)cc2C1c1ccccc1
InChIInChI=1S/C20H17IN2OS/c1-20(18(24)23-19-22-9-10-25-19)12-14-7-8-15(21)11-16(14)17(20)13-5-3-2-4-6-13/h2-11,17H,12H2,1H3,(H,22,23,24)
InChIKeyJEFYKVRJWJYJNZ-UHFFFAOYSA-N
XLogP5.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.34
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 76581972
(1S,2R)-6-hydroxy-2-methyl-1-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 89128160
[4-[(1R,2S)-2-methyl-2-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydroinden-1-yl]phenyl] N-methylcarbamate
CID 87670008
(1R,2S)-6-hydroxy-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 69040300
(1R,2S)-1-benzyl-6-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 87670053
(1R,2S)-6-[(S)-hydroxy(phenyl)methyl]-2-methyl-1-phenyl-N-(1,3,4-thiadiazol-2-yl)-1,3-dihydroindene-2-carboxamide
CID 69041278
(1R,2S)-5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydroindene-2-carboxamide
CID 143493995
(2R,3S)-2-methyl-3-phenyl-2-[(1,3-thiazol-2-ylamino)methyl]-1,3-dihydroindene-5-carbonitrile
CID 143493993
(1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 87668394
15-(fluoromethyl)-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 89105368
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
6-cyano-2-methyl-N-(1,3,4-thiadiazol-2-yl)-1-thiophen-2-yl-1,3-dihydroindene-2-carboxamide
CID 69041615

Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide (CID 76581944) is 6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide is CC1(C(=O)Nc2nccs2)Cc2ccc(I)cc2C1c1ccccc1.
What is the InChIKey of 6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
The InChIKey is JEFYKVRJWJYJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17IN2OS/c1-20(18(24)23-19-22-9-10-25-19)12-14-7-8-15(21)11-16(14)17(20)13-5-3-2-4-6-13/h2-11,17H,12H2,1H3,(H,22,23,24).
What are the key properties of 6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide has a molecular weight of 460.34 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 76581944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).