N-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide

C13H16N4OS — CID 167839111

IUPACN-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide
SMILESNCCc1nsc(NC(=O)CCc2ccccc2)n1
InChIInChI=1S/C13H16N4OS/c14-9-8-11-15-13(19-17-11)16-12(18)7-6-10-4-2-1-3-5-10/h1-5H,6-9,14H2,(H,15,16,17,18)
InChIKeyMSCQWOALHWWKQC-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.61
Rot. Bonds6

About N-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide

N-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide (PubChem CID 167839111) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide
PubChem CID167839111
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide
SMILESNCCc1nsc(NC(=O)CCc2ccccc2)n1
InChIInChI=1S/C13H16N4OS/c14-9-8-11-15-13(19-17-11)16-12(18)7-6-10-4-2-1-3-5-10/h1-5H,6-9,14H2,(H,15,16,17,18)
InChIKeyMSCQWOALHWWKQC-UHFFFAOYSA-N
XLogP1.61
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 16915593
N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 64557853
N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 28901044
2-amino-N-(3-propyl-1,2,4-thiadiazol-5-yl)acetamide
CID 130736061
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
N-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 65269019
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 17320541
ethyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 2072961
N-benzyl-3-phenylpropanamide;methanediolate;2-phenylethanamine;hydrochloride
CID 159891871

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide?
The IUPAC name of N-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide (CID 167839111) is N-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide?
The canonical SMILES for N-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide is NCCc1nsc(NC(=O)CCc2ccccc2)n1.
What is the InChIKey of N-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide?
The InChIKey is MSCQWOALHWWKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c14-9-8-11-15-13(19-17-11)16-12(18)7-6-10-4-2-1-3-5-10/h1-5H,6-9,14H2,(H,15,16,17,18).
What are the key properties of N-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide?
N-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide has a molecular weight of 276.37 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide is sourced from PubChem (CID 167839111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).