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

C13H23N3OS — CID 70705289

IUPAC[3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol
SMILESCCC1(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
InChIKeyPUYIDAJSNZAFDU-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.65
Rot. Bonds4

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

[3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol (PubChem CID 70705289) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is [3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol
PubChem CID70705289
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name[3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol
SMILESCCC1(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
InChIKeyPUYIDAJSNZAFDU-UHFFFAOYSA-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 [3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol (CID 70705289) is [3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol is CCC1(CO)CCCN(c2nnc(C(C)C)s2)C1.
What is the InChIKey of [3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol?
The InChIKey is PUYIDAJSNZAFDU-UHFFFAOYSA-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.
What are the key properties of [3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol?
[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 [3-ethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 70705289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).