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

C10H11N3O2S — CID 107707158

IUPAC5-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
SMILESCC(N)c1nnc(-c2cc(O)cc(O)c2)s1
InChIInChI=1S/C10H11N3O2S/c1-5(11)9-12-13-10(16-9)6-2-7(14)4-8(15)3-6/h2-5,14-15H,11H2,1H3
InChIKeyNRESJHXKQMKDIE-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.64
Rot. Bonds2

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

5-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol (PubChem CID 107707158) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
PubChem CID107707158
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name5-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
SMILESCC(N)c1nnc(-c2cc(O)cc(O)c2)s1
InChIInChI=1S/C10H11N3O2S/c1-5(11)9-12-13-10(16-9)6-2-7(14)4-8(15)3-6/h2-5,14-15H,11H2,1H3
InChIKeyNRESJHXKQMKDIE-UHFFFAOYSA-N
XLogP1.64
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81324350
1-[5-(3-bromo-4-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 107995047
1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 104672976
1-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 107966917
1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 114376146
1-[5-(2-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 79205481
2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole
CID 82489508
1-[5-(3-chloro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 107101149
1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81129833
(1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine
CID 178138250
1-[5-(3-bromo-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 114020283
5-[5-[3-(cyclopropylamino)propyl]-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
CID 107707177

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol?
The IUPAC name of 5-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol (CID 107707158) is 5-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol?
The canonical SMILES for 5-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol is CC(N)c1nnc(-c2cc(O)cc(O)c2)s1.
What is the InChIKey of 5-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol?
The InChIKey is NRESJHXKQMKDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-5(11)9-12-13-10(16-9)6-2-7(14)4-8(15)3-6/h2-5,14-15H,11H2,1H3.
What are the key properties of 5-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol?
5-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol has a molecular weight of 237.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol is sourced from PubChem (CID 107707158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).