1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol

C11H15F3N2OS — CID 113339911

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCc1ncc(CN2CCC(O)(C(F)(F)F)CC2)s1
InChIInChI=1S/C11H15F3N2OS/c1-8-15-6-9(18-8)7-16-4-2-10(17,3-5-16)11(12,13)14/h6,17H,2-5,7H2,1H3
InChIKeyKNGOUQOGUDFRPJ-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.34
Rot. Bonds2

About 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol

1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 113339911) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID113339911
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCc1ncc(CN2CCC(O)(C(F)(F)F)CC2)s1
InChIInChI=1S/C11H15F3N2OS/c1-8-15-6-9(18-8)7-16-4-2-10(17,3-5-16)11(12,13)14/h6,17H,2-5,7H2,1H3
InChIKeyKNGOUQOGUDFRPJ-UHFFFAOYSA-N
XLogP2.34
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 120902084
3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
CID 103728480
5-[[3,5-bis[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazinan-1-yl]methyl]-2-methyl-1,3-thiazole
CID 59815005
[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42244523
N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890944
1-(cyclohexylmethyl)-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155866022
2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole
CID 58293913
4-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]butan-1-one;trihydrochloride
CID 119903007
5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64925151
[4-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-phenothiazin-10-ylpiperidin-1-yl)methanone
CID 58293910
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
2-methyl-3-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 119903036

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (CID 113339911) is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is Cc1ncc(CN2CCC(O)(C(F)(F)F)CC2)s1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is KNGOUQOGUDFRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-8-15-6-9(18-8)7-16-4-2-10(17,3-5-16)11(12,13)14/h6,17H,2-5,7H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 280.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 113339911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).