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

C11H15F3N2OS — CID 113251758

IUPAC1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCc1ncsc1CCN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H15F3N2OS/c1-8-9(18-7-15-8)2-4-16-5-3-10(17,6-16)11(12,13)14/h7,17H,2-6H2,1H3
InChIKeyBPQODWXYANHJGI-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.99
Rot. Bonds3

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

1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 113251758) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID113251758
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCc1ncsc1CCN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H15F3N2OS/c1-8-9(18-7-15-8)2-4-16-5-3-10(17,6-16)11(12,13)14/h7,17H,2-6H2,1H3
InChIKeyBPQODWXYANHJGI-UHFFFAOYSA-N
XLogP1.99
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 78962635
5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole
CID 102850296
(3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 129321905
3-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol
CID 114511001
5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 3021501
1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 112628398
4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 171682245
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 113339911
4-methyl-5-(2-pyrrol-1-ylethyl)-1,3-thiazole
CID 63812266
2-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339519
[6-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]morpholin-2-yl]methanol
CID 102935724
1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one
CID 126978498

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol (CID 113251758) is 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol is Cc1ncsc1CCN1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is BPQODWXYANHJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-8-9(18-7-15-8)2-4-16-5-3-10(17,6-16)11(12,13)14/h7,17H,2-6H2,1H3.
What are the key properties of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 280.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 113251758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).