5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine

C11H13N3O3S — CID 83662420

IUPAC5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1cc(OC)c(-c2nnc(N)s2)c(OC)c1
InChIInChI=1S/C11H13N3O3S/c1-15-6-4-7(16-2)9(8(5-6)17-3)10-13-14-11(12)18-10/h4-5H,1-3H3,(H2,12,14)
InChIKeyMGVWNNZQOMPJPP-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.81
Rot. Bonds4

About 5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine

5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 83662420) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID83662420
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1cc(OC)c(-c2nnc(N)s2)c(OC)c1
InChIInChI=1S/C11H13N3O3S/c1-15-6-4-7(16-2)9(8(5-6)17-3)10-13-14-11(12)18-10/h4-5H,1-3H3,(H2,12,14)
InChIKeyMGVWNNZQOMPJPP-UHFFFAOYSA-N
XLogP1.81
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine (CID 83662420) is 5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine is COc1cc(OC)c(-c2nnc(N)s2)c(OC)c1.
What is the InChIKey of 5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MGVWNNZQOMPJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-15-6-4-7(16-2)9(8(5-6)17-3)10-13-14-11(12)18-10/h4-5H,1-3H3,(H2,12,14).
What are the key properties of 5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine?
5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 267.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 83662420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).