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

C16H17N3OS — CID 110742649

IUPAC2-(1H-indol-3-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCN(CCc1nccs1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H17N3OS/c1-19(8-6-15-17-7-9-21-15)16(20)10-12-11-18-14-5-3-2-4-13(12)14/h2-5,7,9,11,18H,6,8,10H2,1H3
InChIKeyNVNDLBOMEUKCIH-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.87
Rot. Bonds5

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

2-(1H-indol-3-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 110742649) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID110742649
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-(1H-indol-3-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCN(CCc1nccs1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H17N3OS/c1-19(8-6-15-17-7-9-21-15)16(20)10-12-11-18-14-5-3-2-4-13(12)14/h2-5,7,9,11,18H,6,8,10H2,1H3
InChIKeyNVNDLBOMEUKCIH-UHFFFAOYSA-N
XLogP2.87
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110715989
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 24707532
2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 43429962
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 110733094
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-phenoxyacetamide
CID 110733086
2-(1H-indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63208732
N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide
CID 115174014
2-(1H-indol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 63612745
3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide
CID 112698086

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (CID 110742649) is 2-(1H-indol-3-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is CN(CCc1nccs1)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is NVNDLBOMEUKCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-19(8-6-15-17-7-9-21-15)16(20)10-12-11-18-14-5-3-2-4-13(12)14/h2-5,7,9,11,18H,6,8,10H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
2-(1H-indol-3-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 299.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 110742649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).