2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol

C12H20N2OS — CID 121315885

IUPAC2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol
SMILESC[C@@H]1CC[C@@H](c2cc(C(C)(C)O)sn2)CN1
InChIInChI=1S/C12H20N2OS/c1-8-4-5-9(7-13-8)10-6-11(16-14-10)12(2,3)15/h6,8-9,13,15H,4-5,7H2,1-3H3/t8-,9-/m1/s1
InChIKeyJSXJMQBMWJQWJB-RKDXNWHRSA-N
MW240.37 g/mol
LogP2.23
Rot. Bonds2

About 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol

2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol (PubChem CID 121315885) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol
PubChem CID121315885
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol
SMILESC[C@@H]1CC[C@@H](c2cc(C(C)(C)O)sn2)CN1
InChIInChI=1S/C12H20N2OS/c1-8-4-5-9(7-13-8)10-6-11(16-14-10)12(2,3)15/h6,8-9,13,15H,4-5,7H2,1-3H3/t8-,9-/m1/s1
InChIKeyJSXJMQBMWJQWJB-RKDXNWHRSA-N
XLogP2.23
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol (CID 121315885) is 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol is C[C@@H]1CC[C@@H](c2cc(C(C)(C)O)sn2)CN1.
What is the InChIKey of 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol?
The InChIKey is JSXJMQBMWJQWJB-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8-4-5-9(7-13-8)10-6-11(16-14-10)12(2,3)15/h6,8-9,13,15H,4-5,7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol?
2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol has a molecular weight of 240.37 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 121315885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).