5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine

C9H15N3OS — CID 103167080

IUPAC5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine
SMILESCCOC1CC(Cc2nc(N)ns2)C1
InChIInChI=1S/C9H15N3OS/c1-2-13-7-3-6(4-7)5-8-11-9(10)12-14-8/h6-7H,2-5H2,1H3,(H2,10,12)
InChIKeyZVBATYRHVFWYLC-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.48
Rot. Bonds4

About 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine

5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine (PubChem CID 103167080) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine
PubChem CID103167080
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine
SMILESCCOC1CC(Cc2nc(N)ns2)C1
InChIInChI=1S/C9H15N3OS/c1-2-13-7-3-6(4-7)5-8-11-9(10)12-14-8/h6-7H,2-5H2,1H3,(H2,10,12)
InChIKeyZVBATYRHVFWYLC-UHFFFAOYSA-N
XLogP1.48
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Oxan-3-yl)-1,2,4-thiadiazol-3-amine
CID 64544060
5-(2,4,5-Trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine
CID 65159399
5-(2-Methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine
CID 79763828
5-(3-Methyloxolan-2-yl)-1,2,4-thiadiazol-3-amine
CID 81576418
3-Bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole
CID 103170912
5-[(3-Ethoxycyclobutyl)methyl]-3-iodo-1,2,4-thiadiazole
CID 103170914
3-Chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole
CID 103170916
5-[(1-Methoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine
CID 103558415
5-(2-Ethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine
CID 105742600
5-(5-Methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine
CID 114823623
5-(Oxolan-3-ylmethyl)-1,2,4-thiadiazol-3-amine
CID 131086579

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine (CID 103167080) is 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine is CCOC1CC(Cc2nc(N)ns2)C1.
What is the InChIKey of 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine?
The InChIKey is ZVBATYRHVFWYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-13-7-3-6(4-7)5-8-11-9(10)12-14-8/h6-7H,2-5H2,1H3,(H2,10,12).
What are the key properties of 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine?
5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine has a molecular weight of 213.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 103167080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).