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

C8H15N3OS — CID 118370653

IUPAC5-(1-butoxyethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCCOC(C)c1nnc(N)s1
InChIInChI=1S/C8H15N3OS/c1-3-4-5-12-6(2)7-10-11-8(9)13-7/h6H,3-5H2,1-2H3,(H2,9,11)
InChIKeyCRPOLOOHVGPZBE-UHFFFAOYSA-N
MW201.29 g/mol
LogP2.00
Rot. Bonds5

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

5-(1-butoxyethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 118370653) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-(1-butoxyethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-butoxyethyl)-1,3,4-thiadiazol-2-amine
PubChem CID118370653
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name5-(1-butoxyethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCCOC(C)c1nnc(N)s1
InChIInChI=1S/C8H15N3OS/c1-3-4-5-12-6(2)7-10-11-8(9)13-7/h6H,3-5H2,1-2H3,(H2,9,11)
InChIKeyCRPOLOOHVGPZBE-UHFFFAOYSA-N
XLogP2.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-butoxyethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-butoxyethyl)-1,3,4-thiadiazol-2-amine (CID 118370653) is 5-(1-butoxyethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-butoxyethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-butoxyethyl)-1,3,4-thiadiazol-2-amine is CCCCOC(C)c1nnc(N)s1.
What is the InChIKey of 5-(1-butoxyethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CRPOLOOHVGPZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-3-4-5-12-6(2)7-10-11-8(9)13-7/h6H,3-5H2,1-2H3,(H2,9,11).
What are the key properties of 5-(1-butoxyethyl)-1,3,4-thiadiazol-2-amine?
5-(1-butoxyethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 201.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butoxyethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 118370653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).