2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide

C17H17N5O2S — CID 71828007

IUPAC2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C17H17N5O2S/c1-10(23)18-13-3-2-4-14-12(13)7-8-22(14)9-15(24)19-17-21-20-16(25-17)11-5-6-11/h2-4,7-8,11H,5-6,9H2,1H3,(H,18,23)(H,19,21,24)
InChIKeyYBXAILDOKOUNDI-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.97
Rot. Bonds5

About 2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 71828007) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID71828007
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C17H17N5O2S/c1-10(23)18-13-3-2-4-14-12(13)7-8-22(14)9-15(24)19-17-21-20-16(25-17)11-5-6-11/h2-4,7-8,11H,5-6,9H2,1H3,(H,18,23)(H,19,21,24)
InChIKeyYBXAILDOKOUNDI-UHFFFAOYSA-N
XLogP2.97
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide (CID 71828007) is 2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide is CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of 2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is YBXAILDOKOUNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-10(23)18-13-3-2-4-14-12(13)7-8-22(14)9-15(24)19-17-21-20-16(25-17)11-5-6-11/h2-4,7-8,11H,5-6,9H2,1H3,(H,18,23)(H,19,21,24).
What are the key properties of 2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 355.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 71828007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).