(1S)-1-[5-[[3-(methylamino)cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]ethanol

C10H17N3OS — CID 121450967

IUPAC(1S)-1-[5-[[3-(methylamino)cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]ethanol
SMILESCNC1CC(Cc2nnc([C@H](C)O)s2)C1
InChIInChI=1S/C10H17N3OS/c1-6(14)10-13-12-9(15-10)5-7-3-8(4-7)11-2/h6-8,11,14H,3-5H2,1-2H3/t6-,7?,8?/m0/s1
InChIKeyKJKITNUHGFYXNO-KKMMWDRVSA-N
MW227.33 g/mol
LogP1.13
Rot. Bonds4

About (1S)-1-[5-[[3-(methylamino)cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]ethanol

(1S)-1-[5-[[3-(methylamino)cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]ethanol (PubChem CID 121450967) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (1S)-1-[5-[[3-(methylamino)cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[[3-(methylamino)cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]ethanol
PubChem CID121450967
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(1S)-1-[5-[[3-(methylamino)cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]ethanol
SMILESCNC1CC(Cc2nnc([C@H](C)O)s2)C1
InChIInChI=1S/C10H17N3OS/c1-6(14)10-13-12-9(15-10)5-7-3-8(4-7)11-2/h6-8,11,14H,3-5H2,1-2H3/t6-,7?,8?/m0/s1
InChIKeyKJKITNUHGFYXNO-KKMMWDRVSA-N
XLogP1.13
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[[3-(methylamino)cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]ethanol?
The IUPAC name of (1S)-1-[5-[[3-(methylamino)cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]ethanol (CID 121450967) is (1S)-1-[5-[[3-(methylamino)cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[5-[[3-(methylamino)cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]ethanol?
The canonical SMILES for (1S)-1-[5-[[3-(methylamino)cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]ethanol is CNC1CC(Cc2nnc([C@H](C)O)s2)C1.
What is the InChIKey of (1S)-1-[5-[[3-(methylamino)cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]ethanol?
The InChIKey is KJKITNUHGFYXNO-KKMMWDRVSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(14)10-13-12-9(15-10)5-7-3-8(4-7)11-2/h6-8,11,14H,3-5H2,1-2H3/t6-,7?,8?/m0/s1.
What are the key properties of (1S)-1-[5-[[3-(methylamino)cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]ethanol?
(1S)-1-[5-[[3-(methylamino)cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]ethanol has a molecular weight of 227.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[[3-(methylamino)cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]ethanol is sourced from PubChem (CID 121450967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).