2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol

C12H20N2OS — CID 110932618

IUPAC2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol
SMILESCC(C)(O)CN1CCCC(c2nccs2)C1
InChIInChI=1S/C12H20N2OS/c1-12(2,15)9-14-6-3-4-10(8-14)11-13-5-7-16-11/h5,7,10,15H,3-4,6,8-9H2,1-2H3
InChIKeyHXUBDVASJDJZEV-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.09
Rot. Bonds3

About 2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol

2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol (PubChem CID 110932618) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol
PubChem CID110932618
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol
SMILESCC(C)(O)CN1CCCC(c2nccs2)C1
InChIInChI=1S/C12H20N2OS/c1-12(2,15)9-14-6-3-4-10(8-14)11-13-5-7-16-11/h5,7,10,15H,3-4,6,8-9H2,1-2H3
InChIKeyHXUBDVASJDJZEV-UHFFFAOYSA-N
XLogP2.09
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110008771
3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 166211745
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
(1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247587
1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 95761166
(2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119873434
2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole
CID 124956944
3-(1,3-thiazol-2-yl)azepane-1-carboxamide
CID 67258050
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570
2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 86768420
(2-hydroxycyclopentyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110014632
2-[1-(oxan-4-yl)piperidin-3-yl]-1,3-thiazole
CID 110269356

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol (CID 110932618) is 2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol is CC(C)(O)CN1CCCC(c2nccs2)C1.
What is the InChIKey of 2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol?
The InChIKey is HXUBDVASJDJZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-12(2,15)9-14-6-3-4-10(8-14)11-13-5-7-16-11/h5,7,10,15H,3-4,6,8-9H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol?
2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol has a molecular weight of 240.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 110932618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).