[2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol

C13H22N2OS — CID 62780489

IUPAC[2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N2CC(C)CC(C)C2)sc1CO
InChIInChI=1S/C13H22N2OS/c1-4-11-12(8-16)17-13(14-11)15-6-9(2)5-10(3)7-15/h9-10,16H,4-8H2,1-3H3
InChIKeyIWTWGDCZPDOVDV-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.68
Rot. Bonds3

About [2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol

[2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol (PubChem CID 62780489) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol
PubChem CID62780489
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N2CC(C)CC(C)C2)sc1CO
InChIInChI=1S/C13H22N2OS/c1-4-11-12(8-16)17-13(14-11)15-6-9(2)5-10(3)7-15/h9-10,16H,4-8H2,1-3H3
InChIKeyIWTWGDCZPDOVDV-UHFFFAOYSA-N
XLogP2.68
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-ethyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol
CID 62780833
(4-ethyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanol
CID 62778641
[2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,3-thiazol-5-yl]methanol
CID 63520639
1-[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62764474
[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
CID 55117427
N-[[2-(3,5-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107509522
N-[[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62764635
[2-(2,6-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 62766514
2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 82430991
N-[[2-(3,5-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107509520
N-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114597327
[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 115562457

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol (CID 62780489) is [2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol is CCc1nc(N2CC(C)CC(C)C2)sc1CO.
What is the InChIKey of [2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol?
The InChIKey is IWTWGDCZPDOVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-11-12(8-16)17-13(14-11)15-6-9(2)5-10(3)7-15/h9-10,16H,4-8H2,1-3H3.
What are the key properties of [2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol?
[2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol has a molecular weight of 254.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62780489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).