3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline

C11H13N3O2S — CID 43663863

IUPAC3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline
SMILESCOc1cc(NCc2csnn2)cc(OC)c1
InChIInChI=1S/C11H13N3O2S/c1-15-10-3-8(4-11(5-10)16-2)12-6-9-7-17-14-13-9/h3-5,7,12H,6H2,1-2H3
InChIKeyRIEFWAXCHNIZIS-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.17
Rot. Bonds5

About 3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline

3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 43663863) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID43663863
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline
SMILESCOc1cc(NCc2csnn2)cc(OC)c1
InChIInChI=1S/C11H13N3O2S/c1-15-10-3-8(4-11(5-10)16-2)12-6-9-7-17-14-13-9/h3-5,7,12H,6H2,1-2H3
InChIKeyRIEFWAXCHNIZIS-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline (CID 43663863) is 3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline is COc1cc(NCc2csnn2)cc(OC)c1.
What is the InChIKey of 3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is RIEFWAXCHNIZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-15-10-3-8(4-11(5-10)16-2)12-6-9-7-17-14-13-9/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline?
3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 251.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 43663863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).