[1-(1,2,4-thiadiazol-5-yl)cyclobutyl]methanamine

C7H11N3S — CID 96739341

IUPAC[1-(1,2,4-thiadiazol-5-yl)cyclobutyl]methanamine
SMILESNCC1(c2ncns2)CCC1
InChIInChI=1S/C7H11N3S/c8-4-7(2-1-3-7)6-9-5-10-11-6/h5H,1-4,8H2
InChIKeyZFHJPZOUVSCHQF-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.92
Rot. Bonds2

About [1-(1,2,4-thiadiazol-5-yl)cyclobutyl]methanamine

[1-(1,2,4-thiadiazol-5-yl)cyclobutyl]methanamine (PubChem CID 96739341) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is [1-(1,2,4-thiadiazol-5-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(1,2,4-thiadiazol-5-yl)cyclobutyl]methanamine
PubChem CID96739341
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name[1-(1,2,4-thiadiazol-5-yl)cyclobutyl]methanamine
SMILESNCC1(c2ncns2)CCC1
InChIInChI=1S/C7H11N3S/c8-4-7(2-1-3-7)6-9-5-10-11-6/h5H,1-4,8H2
InChIKeyZFHJPZOUVSCHQF-UHFFFAOYSA-N
XLogP0.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-1-(1,2,4-thiadiazol-5-yl)cyclopentyl]methanamine
CID 130544577
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine
CID 103970418
[1-(4-ethyl-1,3-thiazol-2-yl)cyclobutyl]methanamine
CID 105450241
[1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclobutyl]methanamine
CID 105464460
[1-(4-ethyl-1,3-thiazol-2-yl)cyclopentyl]methanamine
CID 83703000
[1-(thiatriazol-5-yl)cyclopropyl]methanamine
CID 116985771
[1-(5-chloro-1,3-benzothiazol-2-yl)cyclobutyl]methanamine
CID 115445980
[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride
CID 86201221
[1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine
CID 82601461
(1-pyrimidin-4-ylcyclohexyl)methanamine
CID 82604335
N-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine
CID 106298397
(1-pyrazin-2-ylcyclopentyl)methanamine
CID 75357322

Frequently Asked Questions

What is the IUPAC name of [1-(1,2,4-thiadiazol-5-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(1,2,4-thiadiazol-5-yl)cyclobutyl]methanamine (CID 96739341) is [1-(1,2,4-thiadiazol-5-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(1,2,4-thiadiazol-5-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(1,2,4-thiadiazol-5-yl)cyclobutyl]methanamine is NCC1(c2ncns2)CCC1.
What is the InChIKey of [1-(1,2,4-thiadiazol-5-yl)cyclobutyl]methanamine?
The InChIKey is ZFHJPZOUVSCHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c8-4-7(2-1-3-7)6-9-5-10-11-6/h5H,1-4,8H2.
What are the key properties of [1-(1,2,4-thiadiazol-5-yl)cyclobutyl]methanamine?
[1-(1,2,4-thiadiazol-5-yl)cyclobutyl]methanamine has a molecular weight of 169.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2,4-thiadiazol-5-yl)cyclobutyl]methanamine is sourced from PubChem (CID 96739341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).