(2R)-2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide

C27H19FN4O2S — CID 153305169

IUPAC(2R)-2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)[C@@H](c1cccc(F)c1)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O
InChIInChI=1S/C27H19FN4O2S/c28-21-3-1-2-19(13-21)24(25(33)31-27-30-10-11-35-27)32-15-20-5-4-17(14-22(20)26(32)34)16-6-7-23-18(12-16)8-9-29-23/h1-14,24,29H,15H2,(H,30,31,33)/t24-/m1/s1
InChIKeyDGLYFVMNJBEVDR-XMMPIXPASA-N
MW482.54 g/mol
LogP5.77
Rot. Bonds5

About (2R)-2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide

(2R)-2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 153305169) has the molecular formula C27H19FN4O2S and a molecular weight of 482.54 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name(2R)-2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID153305169
Molecular FormulaC27H19FN4O2S
Molecular Weight482.54 g/mol
Exact Mass482.12
IUPAC Name(2R)-2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)[C@@H](c1cccc(F)c1)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O
InChIInChI=1S/C27H19FN4O2S/c28-21-3-1-2-19(13-21)24(25(33)31-27-30-10-11-35-27)32-15-20-5-4-17(14-22(20)26(32)34)16-6-7-23-18(12-16)8-9-29-23/h1-14,24,29H,15H2,(H,30,31,33)/t24-/m1/s1
InChIKeyDGLYFVMNJBEVDR-XMMPIXPASA-N
XLogP5.77
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide 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

3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-thiazol-2-yl-1H-indole-7-carboxamide
CID 507919
N-(1,3-benzothiazol-2-yl)-3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-indole-7-carboxamide
CID 507921
indole-based 6-membered lactam, (R)-4b
CID 15604766
4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951676
2-[(4-Methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143528
N-methyl-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143529
N,N-dimethyl-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143530
N-[2-(dimethylamino)ethyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143531
N-[3-(dimethylamino)propyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143533
N-[3-(dimethylamino)propyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143541
Indole-based 6-membered lactam, 3b
CID 44143545
2-[5-[4-(4-methylpiperazin-1-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 135351555

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of (2R)-2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 153305169) is (2R)-2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for (2R)-2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for (2R)-2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)[C@@H](c1cccc(F)c1)N1Cc2ccc(-c3ccc4[nH]ccc4c3)cc2C1=O.
What is the InChIKey of (2R)-2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is DGLYFVMNJBEVDR-XMMPIXPASA-N. The full InChI is InChI=1S/C27H19FN4O2S/c28-21-3-1-2-19(13-21)24(25(33)31-27-30-10-11-35-27)32-15-20-5-4-17(14-22(20)26(32)34)16-6-7-23-18(12-16)8-9-29-23/h1-14,24,29H,15H2,(H,30,31,33)/t24-/m1/s1.
What are the key properties of (2R)-2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
(2R)-2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 482.54 g/mol, XLogP of 5.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 153305169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).