4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridine

C13H9F3N2S — CID 57326106

IUPAC4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridine
SMILESFC(F)(F)c1ccc(C2=NCCc3scnc32)cc1
InChIInChI=1S/C13H9F3N2S/c14-13(15,16)9-3-1-8(2-4-9)11-12-10(5-6-17-11)19-7-18-12/h1-4,7H,5-6H2
InChIKeyJVCHMSAHPQQRRT-UHFFFAOYSA-N
MW282.29 g/mol
LogP3.56
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridine

4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 57326106) has the molecular formula C13H9F3N2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridine
PubChem CID57326106
Molecular FormulaC13H9F3N2S
Molecular Weight282.29 g/mol
Exact Mass282.04
IUPAC Name4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridine
SMILESFC(F)(F)c1ccc(C2=NCCc3scnc32)cc1
InChIInChI=1S/C13H9F3N2S/c14-13(15,16)9-3-1-8(2-4-9)11-12-10(5-6-17-11)19-7-18-12/h1-4,7H,5-6H2
InChIKeyJVCHMSAHPQQRRT-UHFFFAOYSA-N
XLogP3.56
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrido[3,4-d]pyrimidine
CID 25234969
N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine
CID 134578277
4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
CID 57326107
2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 15486309
1-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
CID 110540583
1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene
CID 101091649
2-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
CID 154214481
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 60716130
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride
CID 156593509
N-methyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 7164660
O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 67132095
6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
CID 121358920

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridine (CID 57326106) is 4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridine is FC(F)(F)c1ccc(C2=NCCc3scnc32)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is JVCHMSAHPQQRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2S/c14-13(15,16)9-3-1-8(2-4-9)11-12-10(5-6-17-11)19-7-18-12/h1-4,7H,5-6H2.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridine?
4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 282.29 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 57326106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).