2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride

C8H11ClF3N3OS — CID 120622750

IUPAC2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)NCC(F)(F)F)cs1
InChIInChI=1S/C8H10F3N3OS.ClH/c9-8(10,11)4-13-7(15)5-3-16-6(14-5)1-2-12;/h3H,1-2,4,12H2,(H,13,15);1H
InChIKeyZREBLPRCLAPTDL-UHFFFAOYSA-N
MW289.71 g/mol
LogP1.36
Rot. Bonds4

About 2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120622750) has the molecular formula C8H11ClF3N3OS and a molecular weight of 289.71 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120622750
Molecular FormulaC8H11ClF3N3OS
Molecular Weight289.71 g/mol
Exact Mass289.03
IUPAC Name2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)NCC(F)(F)F)cs1
InChIInChI=1S/C8H10F3N3OS.ClH/c9-8(10,11)4-13-7(15)5-3-16-6(14-5)1-2-12;/h3H,1-2,4,12H2,(H,13,15);1H
InChIKeyZREBLPRCLAPTDL-UHFFFAOYSA-N
XLogP1.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.71
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66376828
2-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide
CID 113327458
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623914
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120634282
2-(2-aminoethyl)-N-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide
CID 120638429
2-(2-aminoethyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619699
2-(2-aminoethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618626
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639332
2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618225
2-(2-aminoethyl)-N-tert-butyl-1,3-thiazole-4-carboxamide
CID 66374176

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 120622750) is 2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCCc1nc(C(=O)NCC(F)(F)F)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is ZREBLPRCLAPTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS.ClH/c9-8(10,11)4-13-7(15)5-3-16-6(14-5)1-2-12;/h3H,1-2,4,12H2,(H,13,15);1H.
What are the key properties of 2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 289.71 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120622750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).