[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone

C13H11F3N2OS — CID 116585554

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESNCCc1nc(C(=O)c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)9-3-1-8(2-4-9)12(19)10-7-20-11(18-10)5-6-17/h1-4,7H,5-6,17H2
InChIKeyHFRDISFBENXDOV-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.89
Rot. Bonds4

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 116585554) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID116585554
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESNCCc1nc(C(=O)c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)9-3-1-8(2-4-9)12(19)10-7-20-11(18-10)5-6-17/h1-4,7H,5-6,17H2
InChIKeyHFRDISFBENXDOV-UHFFFAOYSA-N
XLogP2.89
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120620294
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propoxyphenyl)methanone
CID 116585478
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-fluoro-5-methylphenyl)methanone
CID 116585426
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone
CID 116585498
2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622750
2-(2-aminoethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120634282
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 103133297
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620358
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120620357
2-(2-aminoethyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624690
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 116585268
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;dihydrochloride
CID 120639500

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 116585554) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone is NCCc1nc(C(=O)c2ccc(C(F)(F)F)cc2)cs1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is HFRDISFBENXDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c14-13(15,16)9-3-1-8(2-4-9)12(19)10-7-20-11(18-10)5-6-17/h1-4,7H,5-6,17H2.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 300.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 116585554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).