2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride

C15H18ClF2N3OS — CID 120621650

IUPAC2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C15H17F2N3OS.ClH/c1-9(11-7-10(16)3-4-12(11)17)20(2)15(21)13-8-22-14(19-13)5-6-18;/h3-4,7-9H,5-6,18H2,1-2H3;1H
InChIKeyAETYLVVUEMVJCJ-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.18
Rot. Bonds5

About 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120621650) has the molecular formula C15H18ClF2N3OS and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120621650
Molecular FormulaC15H18ClF2N3OS
Molecular Weight361.85 g/mol
Exact Mass361.08
IUPAC Name2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C15H17F2N3OS.ClH/c1-9(11-7-10(16)3-4-12(11)17)20(2)15(21)13-8-22-14(19-13)5-6-18;/h3-4,7-9H,5-6,18H2,1-2H3;1H
InChIKeyAETYLVVUEMVJCJ-UHFFFAOYSA-N
XLogP3.18
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66389448
2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621554
2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66376296
2-(2-aminoethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388715
2-(aminomethyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 97108607
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide
CID 120635511
2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66390308
2-(2-aminoethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 120623141
2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638123
2-(2-aminoethyl)-N-[3-(4-fluorophenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623568
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119727054
2-(2-aminoethyl)-N-(5-fluoro-2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120630413

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride (CID 120621650) is 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride is CC(c1cc(F)ccc1F)N(C)C(=O)c1csc(CCN)n1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is AETYLVVUEMVJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3OS.ClH/c1-9(11-7-10(16)3-4-12(11)17)20(2)15(21)13-8-22-14(19-13)5-6-18;/h3-4,7-9H,5-6,18H2,1-2H3;1H.
What are the key properties of 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 361.85 g/mol, XLogP of 3.18, 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-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).