N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide

C21H17N3O2S — CID 26196694

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESCC(=O)c1sc(NC(=O)Cc2c[nH]c3ccccc23)nc1-c1ccccc1
InChIInChI=1S/C21H17N3O2S/c1-13(25)20-19(14-7-3-2-4-8-14)24-21(27-20)23-18(26)11-15-12-22-17-10-6-5-9-16(15)17/h2-10,12,22H,11H2,1H3,(H,23,24,26)
InChIKeyYLYXSNXYNBNCEZ-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.68
Rot. Bonds5

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide (PubChem CID 26196694) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide
PubChem CID26196694
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESCC(=O)c1sc(NC(=O)Cc2c[nH]c3ccccc23)nc1-c1ccccc1
InChIInChI=1S/C21H17N3O2S/c1-13(25)20-19(14-7-3-2-4-8-14)24-21(27-20)23-18(26)11-15-12-22-17-10-6-5-9-16(15)17/h2-10,12,22H,11H2,1H3,(H,23,24,26)
InChIKeyYLYXSNXYNBNCEZ-UHFFFAOYSA-N
XLogP4.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide (CID 26196694) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide is CC(=O)c1sc(NC(=O)Cc2c[nH]c3ccccc23)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is YLYXSNXYNBNCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-13(25)20-19(14-7-3-2-4-8-14)24-21(27-20)23-18(26)11-15-12-22-17-10-6-5-9-16(15)17/h2-10,12,22H,11H2,1H3,(H,23,24,26).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 375.45 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 26196694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).