3-(3-methoxy-1,2-thiazol-5-yl)-1,2,4-thiadiazol-5-amine

C6H6N4OS2 — CID 131059171

IUPAC3-(3-methoxy-1,2-thiazol-5-yl)-1,2,4-thiadiazol-5-amine
SMILESCOc1cc(-c2nsc(N)n2)sn1
InChIInChI=1S/C6H6N4OS2/c1-11-4-2-3(12-9-4)5-8-6(7)13-10-5/h2H,1H3,(H2,7,8,10)
InChIKeyOTWGCFGRMXYROU-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.25
Rot. Bonds2

About 3-(3-methoxy-1,2-thiazol-5-yl)-1,2,4-thiadiazol-5-amine

3-(3-methoxy-1,2-thiazol-5-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 131059171) has the molecular formula C6H6N4OS2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(3-methoxy-1,2-thiazol-5-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxy-1,2-thiazol-5-yl)-1,2,4-thiadiazol-5-amine
PubChem CID131059171
Molecular FormulaC6H6N4OS2
Molecular Weight214.27 g/mol
Exact Mass214.00
IUPAC Name3-(3-methoxy-1,2-thiazol-5-yl)-1,2,4-thiadiazol-5-amine
SMILESCOc1cc(-c2nsc(N)n2)sn1
InChIInChI=1S/C6H6N4OS2/c1-11-4-2-3(12-9-4)5-8-6(7)13-10-5/h2H,1H3,(H2,7,8,10)
InChIKeyOTWGCFGRMXYROU-UHFFFAOYSA-N
XLogP1.25
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,2-thiazol-5-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-methoxy-1,2-thiazol-5-yl)-1,2,4-thiadiazol-5-amine (CID 131059171) is 3-(3-methoxy-1,2-thiazol-5-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-methoxy-1,2-thiazol-5-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-methoxy-1,2-thiazol-5-yl)-1,2,4-thiadiazol-5-amine is COc1cc(-c2nsc(N)n2)sn1.
What is the InChIKey of 3-(3-methoxy-1,2-thiazol-5-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OTWGCFGRMXYROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS2/c1-11-4-2-3(12-9-4)5-8-6(7)13-10-5/h2H,1H3,(H2,7,8,10).
What are the key properties of 3-(3-methoxy-1,2-thiazol-5-yl)-1,2,4-thiadiazol-5-amine?
3-(3-methoxy-1,2-thiazol-5-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 214.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,2-thiazol-5-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 131059171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).