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

C15H16N4OS — CID 2116570

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESCCc1nnc(NC(=O)CCc2c[nH]c3ccccc23)s1
InChIInChI=1S/C15H16N4OS/c1-2-14-18-19-15(21-14)17-13(20)8-7-10-9-16-12-6-4-3-5-11(10)12/h3-6,9,16H,2,7-8H2,1H3,(H,17,19,20)
InChIKeyGBEHMKQOJUBNNS-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.15
Rot. Bonds5

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1H-indol-3-yl)propanamide (PubChem CID 2116570) 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-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1H-indol-3-yl)propanamide
PubChem CID2116570
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESCCc1nnc(NC(=O)CCc2c[nH]c3ccccc23)s1
InChIInChI=1S/C15H16N4OS/c1-2-14-18-19-15(21-14)17-13(20)8-7-10-9-16-12-6-4-3-5-11(10)12/h3-6,9,16H,2,7-8H2,1H3,(H,17,19,20)
InChIKeyGBEHMKQOJUBNNS-UHFFFAOYSA-N
XLogP3.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.15
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)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1H-indol-3-yl)propanamide (CID 2116570) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1H-indol-3-yl)propanamide is CCc1nnc(NC(=O)CCc2c[nH]c3ccccc23)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is GBEHMKQOJUBNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-2-14-18-19-15(21-14)17-13(20)8-7-10-9-16-12-6-4-3-5-11(10)12/h3-6,9,16H,2,7-8H2,1H3,(H,17,19,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1H-indol-3-yl)propanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 300.39 g/mol, XLogP of 3.15, 5 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)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 2116570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).