N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide

C15H16N6O2S — CID 171138612

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
SMILESCCc1nnc(NC(=O)C(C)Oc2ncn(-c3ccccc3)n2)s1
InChIInChI=1S/C15H16N6O2S/c1-3-12-18-19-15(24-12)17-13(22)10(2)23-14-16-9-21(20-14)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,17,19,22)
InChIKeyHMEDSBGQHGXLEB-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.09
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide (PubChem CID 171138612) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
PubChem CID171138612
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
SMILESCCc1nnc(NC(=O)C(C)Oc2ncn(-c3ccccc3)n2)s1
InChIInChI=1S/C15H16N6O2S/c1-3-12-18-19-15(24-12)17-13(22)10(2)23-14-16-9-21(20-14)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,17,19,22)
InChIKeyHMEDSBGQHGXLEB-UHFFFAOYSA-N
XLogP2.09
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-butan-2-ylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54787234
N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138634
N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138623
2-(3-chlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2933213
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54787321
N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]butanamide
CID 171139086
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 2799314
(2S)-2-phenoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7322515
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 103807918
2-(4-chloro-2-methylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2930951
2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 103668444
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenoxy)butanamide
CID 17013028

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide (CID 171138612) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide is CCc1nnc(NC(=O)C(C)Oc2ncn(-c3ccccc3)n2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide?
The InChIKey is HMEDSBGQHGXLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-3-12-18-19-15(24-12)17-13(22)10(2)23-14-16-9-21(20-14)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,17,19,22).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide has a molecular weight of 344.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide is sourced from PubChem (CID 171138612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).