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

C15H19Cl2N3OS — CID 119699944

IUPAC2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)c1csc(CN)n1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H18ClN3OS.ClH/c1-9(2)14(10-3-5-11(16)6-4-10)19-15(20)12-8-21-13(7-17)18-12;/h3-6,8-9,14H,7,17H2,1-2H3,(H,19,20);1H
InChIKeyAKWHVXAVUATPEZ-UHFFFAOYSA-N
MW360.31 g/mol
LogP3.80
Rot. Bonds5

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

2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119699944) has the molecular formula C15H19Cl2N3OS and a molecular weight of 360.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119699944
Molecular FormulaC15H19Cl2N3OS
Molecular Weight360.31 g/mol
Exact Mass359.06
IUPAC Name2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)c1csc(CN)n1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H18ClN3OS.ClH/c1-9(2)14(10-3-5-11(16)6-4-10)19-15(20)12-8-21-13(7-17)18-12;/h3-6,8-9,14H,7,17H2,1-2H3,(H,19,20);1H
InChIKeyAKWHVXAVUATPEZ-UHFFFAOYSA-N
XLogP3.80
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119794062
2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide
CID 119689395
2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119816092
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377096
2-(aminomethyl)-N-(2-ethyl-1-phenylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119724628
2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119779356
2-(aminomethyl)-N-[2-(4-chlorophenyl)-2-methoxyethyl]-1,3-thiazole-4-carboxamide
CID 119803141
2-(aminomethyl)-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81359342
2-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 119757986
2-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81363190
2-(aminomethyl)-N-(3-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 119790485
2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66375562

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119699944) is 2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride is CC(C)C(NC(=O)c1csc(CN)n1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is AKWHVXAVUATPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS.ClH/c1-9(2)14(10-3-5-11(16)6-4-10)19-15(20)12-8-21-13(7-17)18-12;/h3-6,8-9,14H,7,17H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 360.31 g/mol, XLogP of 3.80, 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-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119699944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).