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

C14H15ClF3N3O2S — CID 119712592

IUPAC2-(aminomethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)NCc2cccc(OCC(F)(F)F)c2)cs1
InChIInChI=1S/C14H14F3N3O2S.ClH/c15-14(16,17)8-22-10-3-1-2-9(4-10)6-19-13(21)11-7-23-12(5-18)20-11;/h1-4,7H,5-6,8,18H2,(H,19,21);1H
InChIKeyRDXJRAGRCJLIGU-UHFFFAOYSA-N
MW381.81 g/mol
LogP2.89
Rot. Bonds6

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

2-(aminomethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119712592) has the molecular formula C14H15ClF3N3O2S and a molecular weight of 381.81 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119712592
Molecular FormulaC14H15ClF3N3O2S
Molecular Weight381.81 g/mol
Exact Mass381.05
IUPAC Name2-(aminomethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)NCc2cccc(OCC(F)(F)F)c2)cs1
InChIInChI=1S/C14H14F3N3O2S.ClH/c15-14(16,17)8-22-10-3-1-2-9(4-10)6-19-13(21)11-7-23-12(5-18)20-11;/h1-4,7H,5-6,8,18H2,(H,19,21);1H
InChIKeyRDXJRAGRCJLIGU-UHFFFAOYSA-N
XLogP2.89
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.81
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

2-(2-aminoethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120620969
2-(aminomethyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119847075
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377643
2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 119712259
2-(2-aminoethyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619699
2-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119718237
2-(aminomethyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66378027
N-benzyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide
CID 46003395
2-(aminomethyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119734832
2-(aminomethyl)-N-[[3-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 119847461
2-(aminomethyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119710762
2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46149440

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119712592) is 2-(aminomethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCc1nc(C(=O)NCc2cccc(OCC(F)(F)F)c2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is RDXJRAGRCJLIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S.ClH/c15-14(16,17)8-22-10-3-1-2-9(4-10)6-19-13(21)11-7-23-12(5-18)20-11;/h1-4,7H,5-6,8,18H2,(H,19,21);1H.
What are the key properties of 2-(aminomethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 381.81 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119712592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).