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

C20H17N3OS — CID 86979349

IUPAC2-(2-methyl-1H-indol-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C20H17N3OS/c1-13-16(15-9-5-6-10-17(15)22-13)11-19(24)23-20-21-12-18(25-20)14-7-3-2-4-8-14/h2-10,12,22H,11H2,1H3,(H,21,23,24)
InChIKeyWXVRFASDBQQTMK-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.78
Rot. Bonds4

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

2-(2-methyl-1H-indol-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 86979349) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID86979349
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C20H17N3OS/c1-13-16(15-9-5-6-10-17(15)22-13)11-19(24)23-20-21-12-18(25-20)14-7-3-2-4-8-14/h2-10,12,22H,11H2,1H3,(H,21,23,24)
InChIKeyWXVRFASDBQQTMK-UHFFFAOYSA-N
XLogP4.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 23658504
2-(2-methyl-1H-indol-3-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)acetamide
CID 155909077
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 115680666
2-(2-methyl-1H-indol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 31903883
2-(2-fluorophenyl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 47028162
N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 139565216
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 155962659
N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31856117
2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 43630780
2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 146190140
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31902099

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide (CID 86979349) is 2-(2-methyl-1H-indol-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)Nc1ncc(-c2ccccc2)s1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is WXVRFASDBQQTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-13-16(15-9-5-6-10-17(15)22-13)11-19(24)23-20-21-12-18(25-20)14-7-3-2-4-8-14/h2-10,12,22H,11H2,1H3,(H,21,23,24).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide?
2-(2-methyl-1H-indol-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 86979349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).