2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C21H19N3O2S — CID 78873771

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)Nc3cccc(-c4csc(C)n4)c3)c2c1
InChIInChI=1S/C21H19N3O2S/c1-13-23-20(12-27-13)14-4-3-5-16(8-14)24-21(25)9-15-11-22-19-7-6-17(26-2)10-18(15)19/h3-8,10-12,22H,9H2,1-2H3,(H,24,25)
InChIKeyZVPIFIUVQRBSQQ-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.79
Rot. Bonds5

About 2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 78873771) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID78873771
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)Nc3cccc(-c4csc(C)n4)c3)c2c1
InChIInChI=1S/C21H19N3O2S/c1-13-23-20(12-27-13)14-4-3-5-16(8-14)24-21(25)9-15-11-22-19-7-6-17(26-2)10-18(15)19/h3-8,10-12,22H,9H2,1-2H3,(H,24,25)
InChIKeyZVPIFIUVQRBSQQ-UHFFFAOYSA-N
XLogP4.79
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161
2-(5-methoxy-1H-indol-3-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 136576879
N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 110910870
2-(1H-indol-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8533766
N-(4-bromophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209668
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
2,4-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide;ethane
CID 143409150
2-(5-methoxy-1H-indol-3-yl)-N-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 154833363
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100799018
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872729
N-(2,6-dichlorophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209712
5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 107908820

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 78873771) is 2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is COc1ccc2[nH]cc(CC(=O)Nc3cccc(-c4csc(C)n4)c3)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is ZVPIFIUVQRBSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-13-23-20(12-27-13)14-4-3-5-16(8-14)24-21(25)9-15-11-22-19-7-6-17(26-2)10-18(15)19/h3-8,10-12,22H,9H2,1-2H3,(H,24,25).
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 78873771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).