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

C16H20ClF2N3OS — CID 120638123

IUPAC2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)c1csc(CCN)n1)c1ccc(F)cc1F.Cl
InChIInChI=1S/C16H19F2N3OS.ClH/c1-9(2)15(11-4-3-10(17)7-12(11)18)21-16(22)13-8-23-14(20-13)5-6-19;/h3-4,7-9,15H,5-6,19H2,1-2H3,(H,21,22);1H
InChIKeyOEOAKMGRARQGEG-UHFFFAOYSA-N
MW375.87 g/mol
LogP3.47
Rot. Bonds6

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

2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120638123) has the molecular formula C16H20ClF2N3OS and a molecular weight of 375.87 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120638123
Molecular FormulaC16H20ClF2N3OS
Molecular Weight375.87 g/mol
Exact Mass375.10
IUPAC Name2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)c1csc(CCN)n1)c1ccc(F)cc1F.Cl
InChIInChI=1S/C16H19F2N3OS.ClH/c1-9(2)15(11-4-3-10(17)7-12(11)18)21-16(22)13-8-23-14(20-13)5-6-19;/h3-4,7-9,15H,5-6,19H2,1-2H3,(H,21,22);1H
InChIKeyOEOAKMGRARQGEG-UHFFFAOYSA-N
XLogP3.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.87
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119816092
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66389448
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide
CID 120635511
2-(2-aminoethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 120623141
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 62787678
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
2-(2-aminoethyl)-N-(5-fluoro-2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120630413
2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide
CID 120646793
2-(2-aminoethyl)-N-(2-methylpentan-3-yl)-1,3-thiazole-4-carboxamide
CID 66389532
methyl (2R)-2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate;hydrochloride
CID 120632197
2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622303
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120638123) is 2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride is CC(C)C(NC(=O)c1csc(CCN)n1)c1ccc(F)cc1F.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is OEOAKMGRARQGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3OS.ClH/c1-9(2)15(11-4-3-10(17)7-12(11)18)21-16(22)13-8-23-14(20-13)5-6-19;/h3-4,7-9,15H,5-6,19H2,1-2H3,(H,21,22);1H.
What are the key properties of 2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 375.87 g/mol, XLogP of 3.47, 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-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120638123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).