(2-piperidin-1-yl-1,3-thiazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone

C15H20F3N3O2S — CID 146109701

IUPAC(2-piperidin-1-yl-1,3-thiazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1csc(N2CCCCC2)n1)N1CCCC1C(O)C(F)(F)F
InChIInChI=1S/C15H20F3N3O2S/c16-15(17,18)12(22)11-5-4-8-21(11)13(23)10-9-24-14(19-10)20-6-2-1-3-7-20/h9,11-12,22H,1-8H2
InChIKeyPIXKPUHVOVXZLU-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.66
Rot. Bonds3

About (2-piperidin-1-yl-1,3-thiazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone

(2-piperidin-1-yl-1,3-thiazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 146109701) has the molecular formula C15H20F3N3O2S and a molecular weight of 363.41 g/mol. Its IUPAC name is (2-piperidin-1-yl-1,3-thiazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-piperidin-1-yl-1,3-thiazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID146109701
Molecular FormulaC15H20F3N3O2S
Molecular Weight363.41 g/mol
Exact Mass363.12
IUPAC Name(2-piperidin-1-yl-1,3-thiazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1csc(N2CCCCC2)n1)N1CCCC1C(O)C(F)(F)F
InChIInChI=1S/C15H20F3N3O2S/c16-15(17,18)12(22)11-5-4-8-21(11)13(23)10-9-24-14(19-10)20-6-2-1-3-7-20/h9,11-12,22H,1-8H2
InChIKeyPIXKPUHVOVXZLU-UHFFFAOYSA-N
XLogP2.66
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 70749670
(4R)-5-(2-piperidin-1-yl-1,3-thiazole-4-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95874883
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
2-(4-tert-butylazepan-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568577
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
CID 58256899
2-(azepan-1-yl)-1,3-thiazole-4-carbothioamide
CID 82514827
(5-bromo-1-benzofuran-2-yl)-[(2R)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]methanone
CID 97013168
1-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 82033333
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 124689404
ethyl 2-(azepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80568096
(2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 62787051
[2-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119437020

Frequently Asked Questions

What is the IUPAC name of (2-piperidin-1-yl-1,3-thiazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-piperidin-1-yl-1,3-thiazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 146109701) is (2-piperidin-1-yl-1,3-thiazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-piperidin-1-yl-1,3-thiazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-piperidin-1-yl-1,3-thiazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone is O=C(c1csc(N2CCCCC2)n1)N1CCCC1C(O)C(F)(F)F.
What is the InChIKey of (2-piperidin-1-yl-1,3-thiazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is PIXKPUHVOVXZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2S/c16-15(17,18)12(22)11-5-4-8-21(11)13(23)10-9-24-14(19-10)20-6-2-1-3-7-20/h9,11-12,22H,1-8H2.
What are the key properties of (2-piperidin-1-yl-1,3-thiazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone?
(2-piperidin-1-yl-1,3-thiazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 363.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-1-yl-1,3-thiazol-4-yl)-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 146109701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).