3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide

C16H18N4O2S — CID 110727031

IUPAC3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCc2csc3nncn23)cc1
InChIInChI=1S/C16H18N4O2S/c1-22-14-5-2-12(3-6-14)4-7-15(21)17-9-8-13-10-23-16-19-18-11-20(13)16/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,17,21)
InChIKeyVPRQMEWGGKDMSK-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.09
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide

3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide (PubChem CID 110727031) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide
PubChem CID110727031
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCc2csc3nncn23)cc1
InChIInChI=1S/C16H18N4O2S/c1-22-14-5-2-12(3-6-14)4-7-15(21)17-9-8-13-10-23-16-19-18-11-20(13)16/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,17,21)
InChIKeyVPRQMEWGGKDMSK-UHFFFAOYSA-N
XLogP2.09
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide (CID 110727031) is 3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide is COc1ccc(CCC(=O)NCCc2csc3nncn23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide?
The InChIKey is VPRQMEWGGKDMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-22-14-5-2-12(3-6-14)4-7-15(21)17-9-8-13-10-23-16-19-18-11-20(13)16/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,17,21).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide?
3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide has a molecular weight of 330.41 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 110727031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).