2-(phenylmethoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine

C18H15F3N4OS — CID 118069605

IUPAC2-(phenylmethoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine
SMILESFC(F)(F)C1(c2cnc3sc(COCc4ccccc4)nc3c2)CCN=N1
InChIInChI=1S/C18H15F3N4OS/c19-18(20,21)17(6-7-23-25-17)13-8-14-16(22-9-13)27-15(24-14)11-26-10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11H2
InChIKeyUKTAPQMJZUEKSP-UHFFFAOYSA-N
MW392.41 g/mol
LogP5.02
Rot. Bonds5

About 2-(phenylmethoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine

2-(phenylmethoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 118069605) has the molecular formula C18H15F3N4OS and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-(phenylmethoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(phenylmethoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID118069605
Molecular FormulaC18H15F3N4OS
Molecular Weight392.41 g/mol
Exact Mass392.09
IUPAC Name2-(phenylmethoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine
SMILESFC(F)(F)C1(c2cnc3sc(COCc4ccccc4)nc3c2)CCN=N1
InChIInChI=1S/C18H15F3N4OS/c19-18(20,21)17(6-7-23-25-17)13-8-14-16(22-9-13)27-15(24-14)11-26-10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11H2
InChIKeyUKTAPQMJZUEKSP-UHFFFAOYSA-N
XLogP5.02
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.41
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-(3-(Trifluoromethyl)phenyl)thiazolo[5,4-b]pyridin-7-yl)methyl acetate
CID 67217755
2-(Butoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 90153986
2-(Butoxymethyl)-6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 90153996
2-(Butoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine
CID 90154001
4-[5-[2-(3-fluoro-3-methylbutoxy)propan-2-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N,N-dimethylaniline
CID 90729299
2-(Phenylmethoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridine
CID 118069602
2,2,2-Trifluoro-1-[2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]ethanone
CID 118069613
6-(1,1,2,2,2-Pentafluoroethyl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 118069615
2-(Phenylmethoxymethyl)-6-(3,3,3-trifluoroprop-1-en-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 118069618
2-[(2,4-Difluoro-3-methylphenoxy)methyl]-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 123769182
7-[(4-Fluorophenyl)-methoxymethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine
CID 134211811
7-N-[2-(4-fluorophenyl)-2-methoxyethyl]-7-N,2-dimethyl-[1,3]thiazolo[5,4-b]pyridine-6,7-diamine
CID 138630101

Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-(phenylmethoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine (CID 118069605) is 2-(phenylmethoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(phenylmethoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-(phenylmethoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine is FC(F)(F)C1(c2cnc3sc(COCc4ccccc4)nc3c2)CCN=N1.
What is the InChIKey of 2-(phenylmethoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is UKTAPQMJZUEKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4OS/c19-18(20,21)17(6-7-23-25-17)13-8-14-16(22-9-13)27-15(24-14)11-26-10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11H2.
What are the key properties of 2-(phenylmethoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine?
2-(phenylmethoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 392.41 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxymethyl)-6-[5-(trifluoromethyl)-3,4-dihydropyrazol-5-yl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 118069605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).