methyl 4-chloro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate

C15H13ClF3N3O3S — CID 133446205

IUPACmethyl 4-chloro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)nc1Cl
InChIInChI=1S/C15H13ClF3N3O3S/c1-24-13(23)11-12(16)21-14(26-11)22-5-4-9(7-22)25-10-3-2-8(6-20-10)15(17,18)19/h2-3,6,9H,4-5,7H2,1H3
InChIKeyDOJJVSGHAIFTBG-UHFFFAOYSA-N
MW407.80 g/mol
LogP3.65
Rot. Bonds4

About methyl 4-chloro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 133446205) has the molecular formula C15H13ClF3N3O3S and a molecular weight of 407.80 g/mol. Its IUPAC name is methyl 4-chloro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID133446205
Molecular FormulaC15H13ClF3N3O3S
Molecular Weight407.80 g/mol
Exact Mass407.03
IUPAC Namemethyl 4-chloro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)nc1Cl
InChIInChI=1S/C15H13ClF3N3O3S/c1-24-13(23)11-12(16)21-14(26-11)22-5-4-9(7-22)25-10-3-2-8(6-20-10)15(17,18)19/h2-3,6,9H,4-5,7H2,1H3
InChIKeyDOJJVSGHAIFTBG-UHFFFAOYSA-N
XLogP3.65
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.80
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-chloro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

2-tert-butyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 127733624
methyl 4-chloro-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 61224291
4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine
CID 133446164
5-chloro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-3-carboxamide
CID 133446217
5-(trifluoromethyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
CID 156814447
3-chloro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 133446318
1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone
CID 133446287
2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 57057806
6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 133446274
2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 133446292
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl] 4-methoxybenzoate
CID 110208786
CID 156815214
CID 156815214

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate (CID 133446205) is methyl 4-chloro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is DOJJVSGHAIFTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O3S/c1-24-13(23)11-12(16)21-14(26-11)22-5-4-9(7-22)25-10-3-2-8(6-20-10)15(17,18)19/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of methyl 4-chloro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 407.80 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 133446205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).