5-(2-methylpropoxymethyl)-1,3,4-thiadiazol-2-amine

C7H13N3OS — CID 80608318

IUPAC5-(2-methylpropoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)COCc1nnc(N)s1
InChIInChI=1S/C7H13N3OS/c1-5(2)3-11-4-6-9-10-7(8)12-6/h5H,3-4H2,1-2H3,(H2,8,10)
InChIKeyCIODOEXXCYUPOY-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.29
Rot. Bonds4

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

5-(2-methylpropoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80608318) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 5-(2-methylpropoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80608318
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name5-(2-methylpropoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)COCc1nnc(N)s1
InChIInChI=1S/C7H13N3OS/c1-5(2)3-11-4-6-9-10-7(8)12-6/h5H,3-4H2,1-2H3,(H2,8,10)
InChIKeyCIODOEXXCYUPOY-UHFFFAOYSA-N
XLogP1.29
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methylpropoxymethyl)-1,3,4-thiadiazol-2-amine (CID 80608318) is 5-(2-methylpropoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methylpropoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methylpropoxymethyl)-1,3,4-thiadiazol-2-amine is CC(C)COCc1nnc(N)s1.
What is the InChIKey of 5-(2-methylpropoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CIODOEXXCYUPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-5(2)3-11-4-6-9-10-7(8)12-6/h5H,3-4H2,1-2H3,(H2,8,10).
What are the key properties of 5-(2-methylpropoxymethyl)-1,3,4-thiadiazol-2-amine?
5-(2-methylpropoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 187.27 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).