N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

C15H17N5O2S — CID 110385650

IUPACN-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCOc1ccccc1CCNC(=O)CCc1nn2cnnc2s1
InChIInChI=1S/C15H17N5O2S/c1-22-12-5-3-2-4-11(12)8-9-16-13(21)6-7-14-19-20-10-17-18-15(20)23-14/h2-5,10H,6-9H2,1H3,(H,16,21)
InChIKeyCHNDARKXHPJKJF-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.49
Rot. Bonds7

About N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110385650) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110385650
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCOc1ccccc1CCNC(=O)CCc1nn2cnnc2s1
InChIInChI=1S/C15H17N5O2S/c1-22-12-5-3-2-4-11(12)8-9-16-13(21)6-7-14-19-20-10-17-18-15(20)23-14/h2-5,10H,6-9H2,1H3,(H,16,21)
InChIKeyCHNDARKXHPJKJF-UHFFFAOYSA-N
XLogP1.49
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylphenyl)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]acetamide
CID 110672973
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388443
3-(5-chlorothiophen-2-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 87000667
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 78779713
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
CID 110401691
N-[2-(2-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110648445
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide
CID 109012770
4-methoxy-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110401518
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110385650) is N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is COc1ccccc1CCNC(=O)CCc1nn2cnnc2s1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is CHNDARKXHPJKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-22-12-5-3-2-4-11(12)8-9-16-13(21)6-7-14-19-20-10-17-18-15(20)23-14/h2-5,10H,6-9H2,1H3,(H,16,21).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 331.40 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110385650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).