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

C22H21N3OS — CID 90547081

IUPAC2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
SMILESCc1ccccc1-c1nc(C)c(CNC(=O)Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C22H21N3OS/c1-14-7-3-4-8-17(14)22-25-15(2)20(27-22)13-24-21(26)11-16-12-23-19-10-6-5-9-18(16)19/h3-10,12,23H,11,13H2,1-2H3,(H,24,26)
InChIKeyNUEFXTIJNUOAKB-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.77
Rot. Bonds5

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

2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide (PubChem CID 90547081) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
PubChem CID90547081
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
SMILESCc1ccccc1-c1nc(C)c(CNC(=O)Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C22H21N3OS/c1-14-7-3-4-8-17(14)22-25-15(2)20(27-22)13-24-21(26)11-16-12-23-19-10-6-5-9-18(16)19/h3-10,12,23H,11,13H2,1-2H3,(H,24,26)
InChIKeyNUEFXTIJNUOAKB-UHFFFAOYSA-N
XLogP4.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546989
4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide
CID 90547242
2-(2-methoxyphenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547098
2-(4-fluorophenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546282
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1H-indole-3-carboxamide
CID 121123680
2-(1H-indol-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 110746414
3-methoxy-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546993
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 121122681
1-(3-fluorophenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547279
2-(1H-indol-3-yl)-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]acetamide
CID 110867138
2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2114847
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide (CID 90547081) is 2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide is Cc1ccccc1-c1nc(C)c(CNC(=O)Cc2c[nH]c3ccccc23)s1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide?
The InChIKey is NUEFXTIJNUOAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-14-7-3-4-8-17(14)22-25-15(2)20(27-22)13-24-21(26)11-16-12-23-19-10-6-5-9-18(16)19/h3-10,12,23H,11,13H2,1-2H3,(H,24,26).
What are the key properties of 2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide?
2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide has a molecular weight of 375.50 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 90547081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).