[(3S)-3-(2-methoxyethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol

C12H21N3O2S — CID 97138062

IUPAC[(3S)-3-(2-methoxyethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol
SMILESCOCC[C@@]1(CO)CCCN(c2nnc(C)s2)C1
InChIInChI=1S/C12H21N3O2S/c1-10-13-14-11(18-10)15-6-3-4-12(8-15,9-16)5-7-17-2/h16H,3-9H2,1-2H3/t12-/m0/s1
InChIKeyKZKALISPPXFGRV-LBPRGKRZSA-N
MW271.39 g/mol
LogP1.46
Rot. Bonds5

About [(3S)-3-(2-methoxyethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol

[(3S)-3-(2-methoxyethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol (PubChem CID 97138062) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is [(3S)-3-(2-methoxyethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-(2-methoxyethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol
PubChem CID97138062
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name[(3S)-3-(2-methoxyethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol
SMILESCOCC[C@@]1(CO)CCCN(c2nnc(C)s2)C1
InChIInChI=1S/C12H21N3O2S/c1-10-13-14-11(18-10)15-6-3-4-12(8-15,9-16)5-7-17-2/h16H,3-9H2,1-2H3/t12-/m0/s1
InChIKeyKZKALISPPXFGRV-LBPRGKRZSA-N
XLogP1.46
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-methoxyethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-(2-methoxyethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol (CID 97138062) is [(3S)-3-(2-methoxyethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-(2-methoxyethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-(2-methoxyethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol is COCC[C@@]1(CO)CCCN(c2nnc(C)s2)C1.
What is the InChIKey of [(3S)-3-(2-methoxyethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol?
The InChIKey is KZKALISPPXFGRV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10-13-14-11(18-10)15-6-3-4-12(8-15,9-16)5-7-17-2/h16H,3-9H2,1-2H3/t12-/m0/s1.
What are the key properties of [(3S)-3-(2-methoxyethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol?
[(3S)-3-(2-methoxyethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol has a molecular weight of 271.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-methoxyethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 97138062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).