1-[5-(4-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine

C11H13N3O2S — CID 80620937

IUPAC1-[5-(4-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(Oc2ccc(OC)cc2)s1
InChIInChI=1S/C11H13N3O2S/c1-12-7-10-13-14-11(17-10)16-9-5-3-8(15-2)4-6-9/h3-6,12H,7H2,1-2H3
InChIKeyUDGSKPAVUOATDF-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.06
Rot. Bonds5

About 1-[5-(4-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine

1-[5-(4-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine (PubChem CID 80620937) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
PubChem CID80620937
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-[5-(4-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(Oc2ccc(OC)cc2)s1
InChIInChI=1S/C11H13N3O2S/c1-12-7-10-13-14-11(17-10)16-9-5-3-8(15-2)4-6-9/h3-6,12H,7H2,1-2H3
InChIKeyUDGSKPAVUOATDF-UHFFFAOYSA-N
XLogP2.06
TPSA56.27 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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(4-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine (CID 80620937) is 1-[5-(4-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(Oc2ccc(OC)cc2)s1.
What is the InChIKey of 1-[5-(4-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The InChIKey is UDGSKPAVUOATDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-12-7-10-13-14-11(17-10)16-9-5-3-8(15-2)4-6-9/h3-6,12H,7H2,1-2H3.
What are the key properties of 1-[5-(4-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
1-[5-(4-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine has a molecular weight of 251.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 80620937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).