[2-[2-(methylamino)ethyl]phenyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C14H13F3N2OS — CID 106784813

IUPAC[2-[2-(methylamino)ethyl]phenyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCNCCc1ccccc1C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H13F3N2OS/c1-18-7-6-9-4-2-3-5-10(9)12(20)11-8-19-13(21-11)14(15,16)17/h2-5,8,18H,6-7H2,1H3
InChIKeyZBFDCHPMRYDGPL-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.15
Rot. Bonds5

About [2-[2-(methylamino)ethyl]phenyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

[2-[2-(methylamino)ethyl]phenyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106784813) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is [2-[2-(methylamino)ethyl]phenyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[2-[2-(methylamino)ethyl]phenyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106784813
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name[2-[2-(methylamino)ethyl]phenyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCNCCc1ccccc1C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H13F3N2OS/c1-18-7-6-9-4-2-3-5-10(9)12(20)11-8-19-13(21-11)14(15,16)17/h2-5,8,18H,6-7H2,1H3
InChIKeyZBFDCHPMRYDGPL-UHFFFAOYSA-N
XLogP3.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784647
(2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784897
[2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone
CID 116613160
N-cyclopropyl-2-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 104547771
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
CID 116613271
2-[2-(methylamino)ethyl]benzamide
CID 69094527
(3-fluoro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782609
(3-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613286
(2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106865255
naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782470
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
(2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106785011

Frequently Asked Questions

What is the IUPAC name of [2-[2-(methylamino)ethyl]phenyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [2-[2-(methylamino)ethyl]phenyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106784813) is [2-[2-(methylamino)ethyl]phenyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [2-[2-(methylamino)ethyl]phenyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [2-[2-(methylamino)ethyl]phenyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is CNCCc1ccccc1C(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of [2-[2-(methylamino)ethyl]phenyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is ZBFDCHPMRYDGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-18-7-6-9-4-2-3-5-10(9)12(20)11-8-19-13(21-11)14(15,16)17/h2-5,8,18H,6-7H2,1H3.
What are the key properties of [2-[2-(methylamino)ethyl]phenyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
[2-[2-(methylamino)ethyl]phenyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 314.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(methylamino)ethyl]phenyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106784813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).