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

C15H18ClF2N3OS — CID 119816092

IUPAC2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)c1csc(CN)n1)c1ccc(F)cc1F.Cl
InChIInChI=1S/C15H17F2N3OS.ClH/c1-8(2)14(10-4-3-9(16)5-11(10)17)20-15(21)12-7-22-13(6-18)19-12;/h3-5,7-8,14H,6,18H2,1-2H3,(H,20,21);1H
InChIKeyIORHVADNAJPMRL-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.43
Rot. Bonds5

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

2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119816092) has the molecular formula C15H18ClF2N3OS and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119816092
Molecular FormulaC15H18ClF2N3OS
Molecular Weight361.85 g/mol
Exact Mass361.08
IUPAC Name2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)c1csc(CN)n1)c1ccc(F)cc1F.Cl
InChIInChI=1S/C15H17F2N3OS.ClH/c1-8(2)14(10-4-3-9(16)5-11(10)17)20-15(21)12-7-22-13(6-18)19-12;/h3-5,7-8,14H,6,18H2,1-2H3,(H,20,21);1H
InChIKeyIORHVADNAJPMRL-UHFFFAOYSA-N
XLogP3.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-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-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638123
2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119699944
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 62787678
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66389448
2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119779356
2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 66377259
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-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66375562
2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119782858
2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 66377228
2-(aminomethyl)-N-(2-ethyl-1-phenylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119724628

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119816092) is 2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride is CC(C)C(NC(=O)c1csc(CN)n1)c1ccc(F)cc1F.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is IORHVADNAJPMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3OS.ClH/c1-8(2)14(10-4-3-9(16)5-11(10)17)20-15(21)12-7-22-13(6-18)19-12;/h3-5,7-8,14H,6,18H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 361.85 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119816092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).