[1-[amino(thiadiazol-4-yl)methyl]cyclobutyl]methanol

C8H13N3OS — CID 131137796

IUPAC[1-[amino(thiadiazol-4-yl)methyl]cyclobutyl]methanol
SMILESNC(c1csnn1)C1(CO)CCC1
InChIInChI=1S/C8H13N3OS/c9-7(6-4-13-11-10-6)8(5-12)2-1-3-8/h4,7,12H,1-3,5,9H2
InChIKeyJMBCSOLLEZNQBW-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.70
Rot. Bonds3

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

[1-[amino(thiadiazol-4-yl)methyl]cyclobutyl]methanol (PubChem CID 131137796) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is [1-[amino(thiadiazol-4-yl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[amino(thiadiazol-4-yl)methyl]cyclobutyl]methanol
PubChem CID131137796
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name[1-[amino(thiadiazol-4-yl)methyl]cyclobutyl]methanol
SMILESNC(c1csnn1)C1(CO)CCC1
InChIInChI=1S/C8H13N3OS/c9-7(6-4-13-11-10-6)8(5-12)2-1-3-8/h4,7,12H,1-3,5,9H2
InChIKeyJMBCSOLLEZNQBW-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-[amino(thiadiazol-4-yl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[amino(thiadiazol-4-yl)methyl]cyclobutyl]methanol (CID 131137796) is [1-[amino(thiadiazol-4-yl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[amino(thiadiazol-4-yl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[amino(thiadiazol-4-yl)methyl]cyclobutyl]methanol is NC(c1csnn1)C1(CO)CCC1.
What is the InChIKey of [1-[amino(thiadiazol-4-yl)methyl]cyclobutyl]methanol?
The InChIKey is JMBCSOLLEZNQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c9-7(6-4-13-11-10-6)8(5-12)2-1-3-8/h4,7,12H,1-3,5,9H2.
What are the key properties of [1-[amino(thiadiazol-4-yl)methyl]cyclobutyl]methanol?
[1-[amino(thiadiazol-4-yl)methyl]cyclobutyl]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-[amino(thiadiazol-4-yl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 131137796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).