1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol

C8H13N3OS — CID 115907322

IUPAC1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol
SMILESOC1(CNCc2csnn2)CCC1
InChIInChI=1S/C8H13N3OS/c12-8(2-1-3-8)6-9-4-7-5-13-11-10-7/h5,9,12H,1-4,6H2
InChIKeyKOWLJSDWRCQXMU-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.54
Rot. Bonds4

About 1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol

1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol (PubChem CID 115907322) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol
PubChem CID115907322
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol
SMILESOC1(CNCc2csnn2)CCC1
InChIInChI=1S/C8H13N3OS/c12-8(2-1-3-8)6-9-4-7-5-13-11-10-7/h5,9,12H,1-4,6H2
InChIKeyKOWLJSDWRCQXMU-UHFFFAOYSA-N
XLogP0.54
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol
CID 103923799
N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine
CID 115908125
N-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine
CID 115908300
1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621582
3-(thiadiazol-4-ylmethylamino)propanenitrile
CID 43664080
1-cyclopentyl-2-(thiadiazol-4-ylmethylamino)ethanol
CID 115907469
4-[[1-(chloromethyl)cyclobutyl]methyl]thiadiazole
CID 130550088
1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 65210694
1-piperidin-1-yl-2-(thiadiazol-4-ylmethylamino)ethanone
CID 115587343
1-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 65210844
N-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine
CID 130708786
4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine
CID 130899017

Frequently Asked Questions

What is the IUPAC name of 1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol (CID 115907322) is 1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol is OC1(CNCc2csnn2)CCC1.
What is the InChIKey of 1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol?
The InChIKey is KOWLJSDWRCQXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c12-8(2-1-3-8)6-9-4-7-5-13-11-10-7/h5,9,12H,1-4,6H2.
What are the key properties of 1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol?
1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol has a molecular weight of 199.28 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 115907322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).