2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride

C14H17ClFN3OS — CID 120618131

IUPAC2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)NCCc2ccccc2F)cs1
InChIInChI=1S/C14H16FN3OS.ClH/c15-11-4-2-1-3-10(11)6-8-17-14(19)12-9-20-13(18-12)5-7-16;/h1-4,9H,5-8,16H2,(H,17,19);1H
InChIKeyPMAJVQBCELHXFJ-UHFFFAOYSA-N
MW329.83 g/mol
LogP2.18
Rot. Bonds6

About 2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120618131) has the molecular formula C14H17ClFN3OS and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120618131
Molecular FormulaC14H17ClFN3OS
Molecular Weight329.83 g/mol
Exact Mass329.08
IUPAC Name2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)NCCc2ccccc2F)cs1
InChIInChI=1S/C14H16FN3OS.ClH/c15-11-4-2-1-3-10(11)6-8-17-14(19)12-9-20-13(18-12)5-7-16;/h1-4,9H,5-8,16H2,(H,17,19);1H
InChIKeyPMAJVQBCELHXFJ-UHFFFAOYSA-N
XLogP2.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
2-(2-aminoethyl)-N-[2-(2,3-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623940
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120616534
2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622303
2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633662
2-(2-aminoethyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120624564
2-(2-aminoethyl)-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120631588
2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66388082
2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 66389914
2-(2-aminoethyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388111
2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621811

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120618131) is 2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCCc1nc(C(=O)NCCc2ccccc2F)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is PMAJVQBCELHXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS.ClH/c15-11-4-2-1-3-10(11)6-8-17-14(19)12-9-20-13(18-12)5-7-16;/h1-4,9H,5-8,16H2,(H,17,19);1H.
What are the key properties of 2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 2.18, 6 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-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120618131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).