2-methyl-4-[[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxymethyl]-1,3-thiazole

C15H16F3N3OS — CID 126806812

IUPAC2-methyl-4-[[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxymethyl]-1,3-thiazole
SMILESCc1nc(COC2CCN(c3ccnc(C(F)(F)F)c3)C2)cs1
InChIInChI=1S/C15H16F3N3OS/c1-10-20-11(9-23-10)8-22-13-3-5-21(7-13)12-2-4-19-14(6-12)15(16,17)18/h2,4,6,9,13H,3,5,7-8H2,1H3
InChIKeyJESRZZSCPYHQBB-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.66
Rot. Bonds4

About 2-methyl-4-[[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxymethyl]-1,3-thiazole

2-methyl-4-[[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxymethyl]-1,3-thiazole (PubChem CID 126806812) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-methyl-4-[[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxymethyl]-1,3-thiazole
PubChem CID126806812
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC Name2-methyl-4-[[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxymethyl]-1,3-thiazole
SMILESCc1nc(COC2CCN(c3ccnc(C(F)(F)F)c3)C2)cs1
InChIInChI=1S/C15H16F3N3OS/c1-10-20-11(9-23-10)8-22-13-3-5-21(7-13)12-2-4-19-14(6-12)15(16,17)18/h2,4,6,9,13H,3,5,7-8H2,1H3
InChIKeyJESRZZSCPYHQBB-UHFFFAOYSA-N
XLogP3.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxymethyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxymethyl]-1,3-thiazole (CID 126806812) is 2-methyl-4-[[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxymethyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxymethyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxymethyl]-1,3-thiazole is Cc1nc(COC2CCN(c3ccnc(C(F)(F)F)c3)C2)cs1.
What is the InChIKey of 2-methyl-4-[[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxymethyl]-1,3-thiazole?
The InChIKey is JESRZZSCPYHQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c1-10-20-11(9-23-10)8-22-13-3-5-21(7-13)12-2-4-19-14(6-12)15(16,17)18/h2,4,6,9,13H,3,5,7-8H2,1H3.
What are the key properties of 2-methyl-4-[[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxymethyl]-1,3-thiazole?
2-methyl-4-[[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxymethyl]-1,3-thiazole has a molecular weight of 343.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxymethyl]-1,3-thiazole is sourced from PubChem (CID 126806812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).