5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine

C11H13N3O2S — CID 80608923

IUPAC5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(COCc2nnc(N)s2)c1
InChIInChI=1S/C11H13N3O2S/c1-15-9-4-2-3-8(5-9)6-16-7-10-13-14-11(12)17-10/h2-5H,6-7H2,1H3,(H2,12,14)
InChIKeyWCNQYTPIIMSKTB-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.85
Rot. Bonds5

About 5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine

5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80608923) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine
PubChem CID80608923
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(COCc2nnc(N)s2)c1
InChIInChI=1S/C11H13N3O2S/c1-15-9-4-2-3-8(5-9)6-16-7-10-13-14-11(12)17-10/h2-5H,6-7H2,1H3,(H2,12,14)
InChIKeyWCNQYTPIIMSKTB-UHFFFAOYSA-N
XLogP1.85
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614106
5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine
CID 82832131
5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine
CID 95125784
6-[(3-methoxyphenyl)methoxymethyl]pyridin-2-amine
CID 79240022
5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine
CID 80606084
[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanamine
CID 95459878
3-[(3-methoxyphenyl)methoxymethyl]benzenecarbothioamide
CID 24701742
2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 95469549
2-[(3-methoxyphenyl)methoxy]-1,3-thiazol-5-amine
CID 102769354
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine
CID 64571644
2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole
CID 80607272

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine (CID 80608923) is 5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine is COc1cccc(COCc2nnc(N)s2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is WCNQYTPIIMSKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-15-9-4-2-3-8(5-9)6-16-7-10-13-14-11(12)17-10/h2-5H,6-7H2,1H3,(H2,12,14).
What are the key properties of 5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine?
5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 251.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).