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

C11H13N3O2S — CID 79732174

IUPAC5-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2nnc(CCN)s2)cc1O
InChIInChI=1S/C11H13N3O2S/c1-16-9-3-2-7(6-8(9)15)11-14-13-10(17-11)4-5-12/h2-3,6,15H,4-5,12H2,1H3
InChIKeyJTXDMVYCSCXPLB-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.42
Rot. Bonds4

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

5-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-methoxyphenol (PubChem CID 79732174) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 5-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-methoxyphenol
PubChem CID79732174
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name5-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2nnc(CCN)s2)cc1O
InChIInChI=1S/C11H13N3O2S/c1-16-9-3-2-7(6-8(9)15)11-14-13-10(17-11)4-5-12/h2-3,6,15H,4-5,12H2,1H3
InChIKeyJTXDMVYCSCXPLB-UHFFFAOYSA-N
XLogP1.42
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-[2-(tert-butylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyphenol
CID 79735637
5-[5-[(tert-butylamino)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyphenol
CID 79732958
2-[5-(3-bromo-4-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81488182
2-[5-(4-chloro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 82360112
2-butyl-5-(3-chloro-4-methoxyphenyl)-1,3,4-thiadiazole
CID 58390890
2-[5-(4-ethoxy-3-nitrophenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 82360125
2-[5-(3-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 80502983
2-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 79205794
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 114823788
4-[5-(methylaminomethyl)-1,3,4-thiadiazol-2-yl]benzene-1,2-diol
CID 136885725
2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 61280570

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-methoxyphenol?
The IUPAC name of 5-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-methoxyphenol (CID 79732174) is 5-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-methoxyphenol?
The canonical SMILES for 5-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-methoxyphenol is COc1ccc(-c2nnc(CCN)s2)cc1O.
What is the InChIKey of 5-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-methoxyphenol?
The InChIKey is JTXDMVYCSCXPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-16-9-3-2-7(6-8(9)15)11-14-13-10(17-11)4-5-12/h2-3,6,15H,4-5,12H2,1H3.
What are the key properties of 5-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-methoxyphenol?
5-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-methoxyphenol has a molecular weight of 251.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-methoxyphenol is sourced from PubChem (CID 79732174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).