N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride

C13H14ClF3N4OS — CID 120604802

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride
SMILESCCc1nnsc1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C13H13F3N4OS.ClH/c1-2-10-11(22-20-19-10)12(21)18-9-4-7(6-17)3-8(5-9)13(14,15)16;/h3-5H,2,6,17H2,1H3,(H,18,21);1H
InChIKeyAWBIRXQWLYBARK-UHFFFAOYSA-N
MW366.80 g/mol
LogP3.25
Rot. Bonds4

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride (PubChem CID 120604802) has the molecular formula C13H14ClF3N4OS and a molecular weight of 366.80 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride
PubChem CID120604802
Molecular FormulaC13H14ClF3N4OS
Molecular Weight366.80 g/mol
Exact Mass366.05
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride
SMILESCCc1nnsc1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C13H13F3N4OS.ClH/c1-2-10-11(22-20-19-10)12(21)18-9-4-7(6-17)3-8(5-9)13(14,15)16;/h3-5H,2,6,17H2,1H3,(H,18,21);1H
InChIKeyAWBIRXQWLYBARK-UHFFFAOYSA-N
XLogP3.25
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120604998
4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
CID 60693400
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide;hydrochloride
CID 120604922
4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 136535933
N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65205872
4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 135153514
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 120605696
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide
CID 120605053
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120604876
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 120604881

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride (CID 120604802) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride is CCc1nnsc1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride?
The InChIKey is AWBIRXQWLYBARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4OS.ClH/c1-2-10-11(22-20-19-10)12(21)18-9-4-7(6-17)3-8(5-9)13(14,15)16;/h3-5H,2,6,17H2,1H3,(H,18,21);1H.
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride has a molecular weight of 366.80 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120604802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).