1-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperidin-2-yl]propan-2-ol

C14H25N3OS — CID 126829539

IUPAC1-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1Cc1nc(C(C)C)ns1
InChIInChI=1S/C14H25N3OS/c1-10(2)14-15-13(19-16-14)9-17-7-5-4-6-12(17)8-11(3)18/h10-12,18H,4-9H2,1-3H3
InChIKeyAOQWHBXNEMAARM-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.79
Rot. Bonds5

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

1-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperidin-2-yl]propan-2-ol (PubChem CID 126829539) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperidin-2-yl]propan-2-ol
PubChem CID126829539
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name1-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1Cc1nc(C(C)C)ns1
InChIInChI=1S/C14H25N3OS/c1-10(2)14-15-13(19-16-14)9-17-7-5-4-6-12(17)8-11(3)18/h10-12,18H,4-9H2,1-3H3
InChIKeyAOQWHBXNEMAARM-UHFFFAOYSA-N
XLogP2.79
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperidin-2-yl]propan-2-ol (CID 126829539) is 1-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperidin-2-yl]propan-2-ol is CC(O)CC1CCCCN1Cc1nc(C(C)C)ns1.
What is the InChIKey of 1-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperidin-2-yl]propan-2-ol?
The InChIKey is AOQWHBXNEMAARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-10(2)14-15-13(19-16-14)9-17-7-5-4-6-12(17)8-11(3)18/h10-12,18H,4-9H2,1-3H3.
What are the key properties of 1-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperidin-2-yl]propan-2-ol?
1-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperidin-2-yl]propan-2-ol has a molecular weight of 283.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 126829539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).