5-(2-methylbutan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine

C8H15N3OS — CID 80608138

IUPAC5-(2-methylbutan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCC(C)(C)OCc1nnc(N)s1
InChIInChI=1S/C8H15N3OS/c1-4-8(2,3)12-5-6-10-11-7(9)13-6/h4-5H2,1-3H3,(H2,9,11)
InChIKeyCBDYCYHFBDLRTB-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.83
Rot. Bonds4

About 5-(2-methylbutan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine

5-(2-methylbutan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80608138) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylbutan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80608138
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name5-(2-methylbutan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCC(C)(C)OCc1nnc(N)s1
InChIInChI=1S/C8H15N3OS/c1-4-8(2,3)12-5-6-10-11-7(9)13-6/h4-5H2,1-3H3,(H2,9,11)
InChIKeyCBDYCYHFBDLRTB-UHFFFAOYSA-N
XLogP1.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methylbutan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine (CID 80608138) is 5-(2-methylbutan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methylbutan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methylbutan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine is CCC(C)(C)OCc1nnc(N)s1.
What is the InChIKey of 5-(2-methylbutan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CBDYCYHFBDLRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-4-8(2,3)12-5-6-10-11-7(9)13-6/h4-5H2,1-3H3,(H2,9,11).
What are the key properties of 5-(2-methylbutan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine?
5-(2-methylbutan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 201.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).