2-(2-anilino-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

C21H20N4OS — CID 27377753

IUPAC2-(2-anilino-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(Cc1csc(Nc2ccccc2)n1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H20N4OS/c26-20(22-11-10-15-13-23-19-9-5-4-8-18(15)19)12-17-14-27-21(25-17)24-16-6-2-1-3-7-16/h1-9,13-14,23H,10-12H2,(H,22,26)(H,24,25)
InChIKeyOURYXZRTQDYDLD-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.27
Rot. Bonds7

About 2-(2-anilino-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-(2-anilino-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 27377753) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-(2-anilino-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-anilino-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID27377753
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name2-(2-anilino-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(Cc1csc(Nc2ccccc2)n1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H20N4OS/c26-20(22-11-10-15-13-23-19-9-5-4-8-18(15)19)12-17-14-27-21(25-17)24-16-6-2-1-3-7-16/h1-9,13-14,23H,10-12H2,(H,22,26)(H,24,25)
InChIKeyOURYXZRTQDYDLD-UHFFFAOYSA-N
XLogP4.27
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-anilino-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 27377753) is 2-(2-anilino-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-anilino-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-anilino-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(Cc1csc(Nc2ccccc2)n1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(2-anilino-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is OURYXZRTQDYDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c26-20(22-11-10-15-13-23-19-9-5-4-8-18(15)19)12-17-14-27-21(25-17)24-16-6-2-1-3-7-16/h1-9,13-14,23H,10-12H2,(H,22,26)(H,24,25).
What are the key properties of 2-(2-anilino-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(2-anilino-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 376.49 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 27377753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).