N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide;hydrochloride

C12H19ClF3N3S — CID 56800148

IUPACN'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide;hydrochloride
SMILESC/N=C(\NCCCN(C)CC(F)(F)F)c1cccs1.Cl
InChIInChI=1S/C12H18F3N3S.ClH/c1-16-11(10-5-3-8-19-10)17-6-4-7-18(2)9-12(13,14)15;/h3,5,8H,4,6-7,9H2,1-2H3,(H,16,17);1H
InChIKeyRJTSKDVVSUGRSV-UHFFFAOYSA-N
MW329.82 g/mol
LogP3.02
Rot. Bonds6

About N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide;hydrochloride

N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide;hydrochloride (PubChem CID 56800148) has the molecular formula C12H19ClF3N3S and a molecular weight of 329.82 g/mol. Its IUPAC name is N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide;hydrochloride
PubChem CID56800148
Molecular FormulaC12H19ClF3N3S
Molecular Weight329.82 g/mol
Exact Mass329.09
IUPAC NameN'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide;hydrochloride
SMILESC/N=C(\NCCCN(C)CC(F)(F)F)c1cccs1.Cl
InChIInChI=1S/C12H18F3N3S.ClH/c1-16-11(10-5-3-8-19-10)17-6-4-7-18(2)9-12(13,14)15;/h3,5,8H,4,6-7,9H2,1-2H3,(H,16,17);1H
InChIKeyRJTSKDVVSUGRSV-UHFFFAOYSA-N
XLogP3.02
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide;hydrochloride?
The IUPAC name of N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide;hydrochloride (CID 56800148) is N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide;hydrochloride.
What is the SMILES notation for N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide;hydrochloride?
The canonical SMILES for N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide;hydrochloride is C/N=C(\NCCCN(C)CC(F)(F)F)c1cccs1.Cl.
What is the InChIKey of N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide;hydrochloride?
The InChIKey is RJTSKDVVSUGRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S.ClH/c1-16-11(10-5-3-8-19-10)17-6-4-7-18(2)9-12(13,14)15;/h3,5,8H,4,6-7,9H2,1-2H3,(H,16,17);1H.
What are the key properties of N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide;hydrochloride?
N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide;hydrochloride has a molecular weight of 329.82 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide;hydrochloride is sourced from PubChem (CID 56800148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).