2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine

C13H17N3OS — CID 95469549

IUPAC2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCOc1cccc(CCc2nnc(CCN)s2)c1
InChIInChI=1S/C13H17N3OS/c1-17-11-4-2-3-10(9-11)5-6-12-15-16-13(18-12)7-8-14/h2-4,9H,5-8,14H2,1H3
InChIKeyRVJPETILNHMJBK-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.83
Rot. Bonds6

About 2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine

2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 95469549) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID95469549
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCOc1cccc(CCc2nnc(CCN)s2)c1
InChIInChI=1S/C13H17N3OS/c1-17-11-4-2-3-10(9-11)5-6-12-15-16-13(18-12)7-8-14/h2-4,9H,5-8,14H2,1H3
InChIKeyRVJPETILNHMJBK-UHFFFAOYSA-N
XLogP1.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanamine
CID 95459878
2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane
CID 175411262
5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine
CID 80608923
1-methoxy-3-propylbenzene
CID 14270128
benzaldehyde;2-(3-methoxyphenyl)ethanamine
CID 89401887
5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272863
5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine
CID 95125784
3-(3-methoxyphenyl)-N-[5-[4-[5-[3-(3-methoxyphenyl)propanoylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 90165530
[5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614106
2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride
CID 23043952
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937
4,6-bis[2-(3-methoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870856

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine (CID 95469549) is 2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine is COc1cccc(CCc2nnc(CCN)s2)c1.
What is the InChIKey of 2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is RVJPETILNHMJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-17-11-4-2-3-10(9-11)5-6-12-15-16-13(18-12)7-8-14/h2-4,9H,5-8,14H2,1H3.
What are the key properties of 2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine?
2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 263.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 95469549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).