3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]cyclobutan-1-amine

C8H13N3OS — CID 164654239

IUPAC3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]cyclobutan-1-amine
SMILESCc1nnc(COC2CC(N)C2)s1
InChIInChI=1S/C8H13N3OS/c1-5-10-11-8(13-5)4-12-7-2-6(9)3-7/h6-7H,2-4,9H2,1H3
InChIKeyRLTOJCMOJABGBU-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.85
Rot. Bonds3

About 3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]cyclobutan-1-amine

3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]cyclobutan-1-amine (PubChem CID 164654239) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]cyclobutan-1-amine
PubChem CID164654239
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]cyclobutan-1-amine
SMILESCc1nnc(COC2CC(N)C2)s1
InChIInChI=1S/C8H13N3OS/c1-5-10-11-8(13-5)4-12-7-2-6(9)3-7/h6-7H,2-4,9H2,1H3
InChIKeyRLTOJCMOJABGBU-UHFFFAOYSA-N
XLogP0.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]cyclobutan-1-amine?
The IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]cyclobutan-1-amine (CID 164654239) is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]cyclobutan-1-amine.
What is the SMILES notation for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]cyclobutan-1-amine?
The canonical SMILES for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]cyclobutan-1-amine is Cc1nnc(COC2CC(N)C2)s1.
What is the InChIKey of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]cyclobutan-1-amine?
The InChIKey is RLTOJCMOJABGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5-10-11-8(13-5)4-12-7-2-6(9)3-7/h6-7H,2-4,9H2,1H3.
What are the key properties of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]cyclobutan-1-amine?
3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]cyclobutan-1-amine has a molecular weight of 199.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]cyclobutan-1-amine is sourced from PubChem (CID 164654239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).