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

C15H16N4OS — CID 29410765

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-indol-1-ylpropanamide
SMILESCCc1nnc(NC(=O)CCn2ccc3ccccc32)s1
InChIInChI=1S/C15H16N4OS/c1-2-14-17-18-15(21-14)16-13(20)8-10-19-9-7-11-5-3-4-6-12(11)19/h3-7,9H,2,8,10H2,1H3,(H,16,18,20)
InChIKeyAOHFGTRNZUTPCU-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.08
Rot. Bonds5

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-indol-1-ylpropanamide (PubChem CID 29410765) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-indol-1-ylpropanamide
PubChem CID29410765
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-indol-1-ylpropanamide
SMILESCCc1nnc(NC(=O)CCn2ccc3ccccc32)s1
InChIInChI=1S/C15H16N4OS/c1-2-14-17-18-15(21-14)16-13(20)8-10-19-9-7-11-5-3-4-6-12(11)19/h3-7,9H,2,8,10H2,1H3,(H,16,18,20)
InChIKeyAOHFGTRNZUTPCU-UHFFFAOYSA-N
XLogP3.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-indol-1-ylpropanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-indol-1-ylpropanamide (CID 29410765) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-indol-1-ylpropanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-indol-1-ylpropanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-indol-1-ylpropanamide is CCc1nnc(NC(=O)CCn2ccc3ccccc32)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-indol-1-ylpropanamide?
The InChIKey is AOHFGTRNZUTPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-2-14-17-18-15(21-14)16-13(20)8-10-19-9-7-11-5-3-4-6-12(11)19/h3-7,9H,2,8,10H2,1H3,(H,16,18,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-indol-1-ylpropanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-indol-1-ylpropanamide has a molecular weight of 300.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-indol-1-ylpropanamide is sourced from PubChem (CID 29410765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).