2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

C15H17ClF3N3O2S — CID 120634504

IUPAC2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)c2csc(CCN)n2)ccc1OCC(F)(F)F.Cl
InChIInChI=1S/C15H16F3N3O2S.ClH/c1-9-6-10(2-3-12(9)23-8-15(16,17)18)20-14(22)11-7-24-13(21-11)4-5-19;/h2-3,6-7H,4-5,8,19H2,1H3,(H,20,22);1H
InChIKeyACMMWBXPVBQQLF-UHFFFAOYSA-N
MW395.83 g/mol
LogP3.57
Rot. Bonds6

About 2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120634504) has the molecular formula C15H17ClF3N3O2S and a molecular weight of 395.83 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120634504
Molecular FormulaC15H17ClF3N3O2S
Molecular Weight395.83 g/mol
Exact Mass395.07
IUPAC Name2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)c2csc(CCN)n2)ccc1OCC(F)(F)F.Cl
InChIInChI=1S/C15H16F3N3O2S.ClH/c1-9-6-10(2-3-12(9)23-8-15(16,17)18)20-14(22)11-7-24-13(21-11)4-5-19;/h2-3,6-7H,4-5,8,19H2,1H3,(H,20,22);1H
InChIKeyACMMWBXPVBQQLF-UHFFFAOYSA-N
XLogP3.57
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.83
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635893
2-(2-aminoethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120619249
2-(2-aminoethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617100
2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 120633179
2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 114839656
2-(2-aminoethyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120622378
2-(2-aminoethyl)-N-[3-chloro-4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621378
2-(2-aminoethyl)-N-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 120621387
2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621658
2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638651
2-(2-aminoethyl)-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 66388298
2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618119

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120634504) is 2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cc1cc(NC(=O)c2csc(CCN)n2)ccc1OCC(F)(F)F.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is ACMMWBXPVBQQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2S.ClH/c1-9-6-10(2-3-12(9)23-8-15(16,17)18)20-14(22)11-7-24-13(21-11)4-5-19;/h2-3,6-7H,4-5,8,19H2,1H3,(H,20,22);1H.
What are the key properties of 2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 395.83 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120634504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).