N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide

C14H14N4OS — CID 2117341

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESCCc1nnc(NC(=O)Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C14H14N4OS/c1-2-13-17-18-14(20-13)16-12(19)7-9-8-15-11-6-4-3-5-10(9)11/h3-6,8,15H,2,7H2,1H3,(H,16,18,19)
InChIKeyRFZODBOKJZLKMT-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.76
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide (PubChem CID 2117341) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide
PubChem CID2117341
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESCCc1nnc(NC(=O)Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C14H14N4OS/c1-2-13-17-18-14(20-13)16-12(19)7-9-8-15-11-6-4-3-5-10(9)11/h3-6,8,15H,2,7H2,1H3,(H,16,18,19)
InChIKeyRFZODBOKJZLKMT-UHFFFAOYSA-N
XLogP2.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide (CID 2117341) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide is CCc1nnc(NC(=O)Cc2c[nH]c3ccccc23)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is RFZODBOKJZLKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-2-13-17-18-14(20-13)16-12(19)7-9-8-15-11-6-4-3-5-10(9)11/h3-6,8,15H,2,7H2,1H3,(H,16,18,19).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 286.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 2117341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).