2-[(2S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]propan-2-ol

C11H15F3N2OS — CID 164636591

IUPAC2-[(2S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CCCN1c1ncc(C(F)(F)F)s1
InChIInChI=1S/C11H15F3N2OS/c1-10(2,17)7-4-3-5-16(7)9-15-6-8(18-9)11(12,13)14/h6-7,17H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyNKRHZYWXMLJARQ-ZETCQYMHSA-N
MW280.31 g/mol
LogP2.90
Rot. Bonds2

About 2-[(2S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]propan-2-ol

2-[(2S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 164636591) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[(2S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]propan-2-ol
PubChem CID164636591
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name2-[(2S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CCCN1c1ncc(C(F)(F)F)s1
InChIInChI=1S/C11H15F3N2OS/c1-10(2,17)7-4-3-5-16(7)9-15-6-8(18-9)11(12,13)14/h6-7,17H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyNKRHZYWXMLJARQ-ZETCQYMHSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]propan-2-ol (CID 164636591) is 2-[(2S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]propan-2-ol is CC(C)(O)[C@@H]1CCCN1c1ncc(C(F)(F)F)s1.
What is the InChIKey of 2-[(2S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is NKRHZYWXMLJARQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-10(2,17)7-4-3-5-16(7)9-15-6-8(18-9)11(12,13)14/h6-7,17H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of 2-[(2S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]propan-2-ol?
2-[(2S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 280.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 164636591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).