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

C12H20N2OS — CID 145069790

IUPAC2-[3-[(6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol
SMILESC[C@@H]1CCC(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-VEDVMXKPSA-N
MW240.37 g/mol
LogP2.23
Rot. Bonds2

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

2-[3-[(6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol (PubChem CID 145069790) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[3-[(6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[(6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol
PubChem CID145069790
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[3-[(6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol
SMILESC[C@@H]1CCC(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-VEDVMXKPSA-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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Related Compounds

1-Ethyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 69534542
4-(3-Methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 69534552
4-[(3-Methyl-1,2-thiazol-5-yl)methyl]piperidin-4-ol
CID 90419738
(1-Tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 90420068
2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol
CID 121315885
1-Methyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 130646260
2-[3-(4-Methylcyclohexyl)-1,2-thiazol-5-yl]propan-2-ol
CID 132129486
(Piperidin-4-ylmethylamino)-(5-propan-2-yl-1,2-thiazol-3-yl)methanol
CID 146424232
3-Methyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 126985751
1-Amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 130639475
4-Amino-1-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-ol
CID 130730151
1-(3-Methyl-1,2-thiazol-5-yl)-1-pyrrolidin-3-ylethanol
CID 130857619

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-[(6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol (CID 145069790) is 2-[3-[(6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[(6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-[(6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol is C[C@@H]1CCC(c2cc(C(C)(C)O)sn2)CN1.
What is the InChIKey of 2-[3-[(6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol?
The InChIKey is JSXJMQBMWJQWJB-VEDVMXKPSA-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-[(6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol?
2-[3-[(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-[(6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 145069790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).