[(3R)-3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol

C13H23N3OS — CID 97116677

IUPAC[(3R)-3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol
SMILESCC[C@@]1(CO)CCCN(c2nnc(C(C)C)s2)C1
InChIInChI=1S/C13H23N3OS/c1-4-13(9-17)6-5-7-16(8-13)12-15-14-11(18-12)10(2)3/h10,17H,4-9H2,1-3H3/t13-/m1/s1
InChIKeyPUYIDAJSNZAFDU-CYBMUJFWSA-N
MW269.41 g/mol
LogP2.65
Rot. Bonds4

About [(3R)-3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol

[(3R)-3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol (PubChem CID 97116677) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is [(3R)-3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol
PubChem CID97116677
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name[(3R)-3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol
SMILESCC[C@@]1(CO)CCCN(c2nnc(C(C)C)s2)C1
InChIInChI=1S/C13H23N3OS/c1-4-13(9-17)6-5-7-16(8-13)12-15-14-11(18-12)10(2)3/h10,17H,4-9H2,1-3H3/t13-/m1/s1
InChIKeyPUYIDAJSNZAFDU-CYBMUJFWSA-N
XLogP2.65
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol (CID 97116677) is [(3R)-3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol is CC[C@@]1(CO)CCCN(c2nnc(C(C)C)s2)C1.
What is the InChIKey of [(3R)-3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol?
The InChIKey is PUYIDAJSNZAFDU-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-4-13(9-17)6-5-7-16(8-13)12-15-14-11(18-12)10(2)3/h10,17H,4-9H2,1-3H3/t13-/m1/s1.
What are the key properties of [(3R)-3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol?
[(3R)-3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol has a molecular weight of 269.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 97116677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).