N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)propanamide

C17H17N3O2S — CID 8832994

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)c1sc(NC(=O)CCc2c[nH]c3ccccc23)nc1C
InChIInChI=1S/C17H17N3O2S/c1-10-16(11(2)21)23-17(19-10)20-15(22)8-7-12-9-18-14-6-4-3-5-13(12)14/h3-6,9,18H,7-8H2,1-2H3,(H,19,20,22)
InChIKeyLOTDXIZXAWJAKX-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.71
Rot. Bonds5

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

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)propanamide (PubChem CID 8832994) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)propanamide
PubChem CID8832994
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)c1sc(NC(=O)CCc2c[nH]c3ccccc23)nc1C
InChIInChI=1S/C17H17N3O2S/c1-10-16(11(2)21)23-17(19-10)20-15(22)8-7-12-9-18-14-6-4-3-5-13(12)14/h3-6,9,18H,7-8H2,1-2H3,(H,19,20,22)
InChIKeyLOTDXIZXAWJAKX-UHFFFAOYSA-N
XLogP3.71
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.71
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-methyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)propanamide (CID 8832994) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)propanamide is CC(=O)c1sc(NC(=O)CCc2c[nH]c3ccccc23)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is LOTDXIZXAWJAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-16(11(2)21)23-17(19-10)20-15(22)8-7-12-9-18-14-6-4-3-5-13(12)14/h3-6,9,18H,7-8H2,1-2H3,(H,19,20,22).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)propanamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 327.41 g/mol, XLogP of 3.71, 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-methyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 8832994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).