naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C15H8F3NOS — CID 106782470

IUPACnaphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C15H8F3NOS/c16-15(17,18)14-19-8-12(21-14)13(20)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChIKeyRXAYKVYDDRYXTN-UHFFFAOYSA-N
MW307.30 g/mol
LogP4.55
Rot. Bonds2

About naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782470) has the molecular formula C15H8F3NOS and a molecular weight of 307.30 g/mol. Its IUPAC name is naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782470
Molecular FormulaC15H8F3NOS
Molecular Weight307.30 g/mol
Exact Mass307.03
IUPAC Namenaphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C15H8F3NOS/c16-15(17,18)14-19-8-12(21-14)13(20)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChIKeyRXAYKVYDDRYXTN-UHFFFAOYSA-N
XLogP4.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782419
(3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782410
(4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782418
(2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 107502611
1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784642
dinaphthalen-2-ylmethanone
CID 10945915
(1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782483
(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782498
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
naphthalene-2-carboxylic acid
CID 175967775
(2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784849
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782470) is naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1ccc2ccccc2c1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is RXAYKVYDDRYXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NOS/c16-15(17,18)14-19-8-12(21-14)13(20)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H.
What are the key properties of naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 307.30 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).