[1-(aminomethyl)cyclobutyl]-(thiadiazol-4-yl)methanol

C8H13N3OS — CID 130592728

IUPAC[1-(aminomethyl)cyclobutyl]-(thiadiazol-4-yl)methanol
SMILESNCC1(C(O)c2csnn2)CCC1
InChIInChI=1S/C8H13N3OS/c9-5-8(2-1-3-8)7(12)6-4-13-11-10-6/h4,7,12H,1-3,5,9H2
InChIKeyRQPKHZAMIYBDEN-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.70
Rot. Bonds3

About [1-(aminomethyl)cyclobutyl]-(thiadiazol-4-yl)methanol

[1-(aminomethyl)cyclobutyl]-(thiadiazol-4-yl)methanol (PubChem CID 130592728) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(thiadiazol-4-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(thiadiazol-4-yl)methanol
PubChem CID130592728
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name[1-(aminomethyl)cyclobutyl]-(thiadiazol-4-yl)methanol
SMILESNCC1(C(O)c2csnn2)CCC1
InChIInChI=1S/C8H13N3OS/c9-5-8(2-1-3-8)7(12)6-4-13-11-10-6/h4,7,12H,1-3,5,9H2
InChIKeyRQPKHZAMIYBDEN-UHFFFAOYSA-N
XLogP0.70
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(thiadiazol-4-yl)methanol?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(thiadiazol-4-yl)methanol (CID 130592728) is [1-(aminomethyl)cyclobutyl]-(thiadiazol-4-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(thiadiazol-4-yl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(thiadiazol-4-yl)methanol is NCC1(C(O)c2csnn2)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(thiadiazol-4-yl)methanol?
The InChIKey is RQPKHZAMIYBDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c9-5-8(2-1-3-8)7(12)6-4-13-11-10-6/h4,7,12H,1-3,5,9H2.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(thiadiazol-4-yl)methanol?
[1-(aminomethyl)cyclobutyl]-(thiadiazol-4-yl)methanol has a molecular weight of 199.28 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(thiadiazol-4-yl)methanol is sourced from PubChem (CID 130592728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).