[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol

C11H18N2OS — CID 115088901

IUPAC[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
SMILESCN1CCCC(Cc2nc(CO)cs2)C1
InChIInChI=1S/C11H18N2OS/c1-13-4-2-3-9(6-13)5-11-12-10(7-14)8-15-11/h8-9,14H,2-7H2,1H3
InChIKeyPJOKDDPKJJZNRF-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.52
Rot. Bonds3

About [2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol

[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol (PubChem CID 115088901) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is [2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
PubChem CID115088901
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
SMILESCN1CCCC(Cc2nc(CO)cs2)C1
InChIInChI=1S/C11H18N2OS/c1-13-4-2-3-9(6-13)5-11-12-10(7-14)8-15-11/h8-9,14H,2-7H2,1H3
InChIKeyPJOKDDPKJJZNRF-UHFFFAOYSA-N
XLogP1.52
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087908
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol
CID 115088933
[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087903
N-methyl-3-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088029
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine
CID 115089019
[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol
CID 115088342
[2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol
CID 115088747
2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol
CID 115088634
[3-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-5-yl]methanol
CID 115092826
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115087977
2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole
CID 100742041
[2-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol
CID 117153570

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol (CID 115088901) is [2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol is CN1CCCC(Cc2nc(CO)cs2)C1.
What is the InChIKey of [2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is PJOKDDPKJJZNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-13-4-2-3-9(6-13)5-11-12-10(7-14)8-15-11/h8-9,14H,2-7H2,1H3.
What are the key properties of [2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol?
[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 226.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 115088901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).