4-(4-methoxyphenyl)thiadiazol-5-amine

C9H9N3OS — CID 2779743

IUPAC4-(4-methoxyphenyl)thiadiazol-5-amine
SMILESCOc1ccc(-c2nnsc2N)cc1
InChIInChI=1S/C9H9N3OS/c1-13-7-4-2-6(3-5-7)8-9(10)14-12-11-8/h2-5H,10H2,1H3
InChIKeyOOWWXFVMCYHRCI-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.80
Rot. Bonds2

About 4-(4-methoxyphenyl)thiadiazol-5-amine

4-(4-methoxyphenyl)thiadiazol-5-amine (PubChem CID 2779743) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)thiadiazol-5-amine
PubChem CID2779743
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name4-(4-methoxyphenyl)thiadiazol-5-amine
SMILESCOc1ccc(-c2nnsc2N)cc1
InChIInChI=1S/C9H9N3OS/c1-13-7-4-2-6(3-5-7)8-9(10)14-12-11-8/h2-5H,10H2,1H3
InChIKeyOOWWXFVMCYHRCI-UHFFFAOYSA-N
XLogP1.80
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)thiadiazol-5-amine?
The IUPAC name of 4-(4-methoxyphenyl)thiadiazol-5-amine (CID 2779743) is 4-(4-methoxyphenyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)thiadiazol-5-amine?
The canonical SMILES for 4-(4-methoxyphenyl)thiadiazol-5-amine is COc1ccc(-c2nnsc2N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)thiadiazol-5-amine?
The InChIKey is OOWWXFVMCYHRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-13-7-4-2-6(3-5-7)8-9(10)14-12-11-8/h2-5H,10H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)thiadiazol-5-amine?
4-(4-methoxyphenyl)thiadiazol-5-amine has a molecular weight of 207.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)thiadiazol-5-amine is sourced from PubChem (CID 2779743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).