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

C15H19Cl2N3OS — CID 120621554

IUPAC2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C15H18ClN3OS.ClH/c1-10(11-4-3-5-12(16)8-11)19(2)15(20)13-9-21-14(18-13)6-7-17;/h3-5,8-10H,6-7,17H2,1-2H3;1H
InChIKeyVSBOASAIZMBSLH-UHFFFAOYSA-N
MW360.31 g/mol
LogP3.55
Rot. Bonds5

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

2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120621554) has the molecular formula C15H19Cl2N3OS and a molecular weight of 360.31 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120621554
Molecular FormulaC15H19Cl2N3OS
Molecular Weight360.31 g/mol
Exact Mass359.06
IUPAC Name2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C15H18ClN3OS.ClH/c1-10(11-4-3-5-12(16)8-11)19(2)15(20)13-9-21-14(18-13)6-7-17;/h3-5,8-10H,6-7,17H2,1-2H3;1H
InChIKeyVSBOASAIZMBSLH-UHFFFAOYSA-N
XLogP3.55
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81371818
2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388715
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621650
2-(aminomethyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 97108607
4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62978573
3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 61139721
2-(2-aminoethyl)-N-[2-(3-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636617
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide
CID 62978753
2-(aminomethyl)-N-[(2R,3S)-3-(4-chlorophenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 124693506
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119723226
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119727054
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66377068

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride (CID 120621554) is 2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride is CC(c1cccc(Cl)c1)N(C)C(=O)c1csc(CCN)n1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is VSBOASAIZMBSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS.ClH/c1-10(11-4-3-5-12(16)8-11)19(2)15(20)13-9-21-14(18-13)6-7-17;/h3-5,8-10H,6-7,17H2,1-2H3;1H.
What are the key properties of 2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 360.31 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).