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

C15H20ClN3OS — CID 119795780

IUPAC2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1ccc(C(C)CNC(=O)c2csc(CN)n2)cc1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-10-3-5-12(6-4-10)11(2)8-17-15(19)13-9-20-14(7-16)18-13;/h3-6,9,11H,7-8,16H2,1-2H3,(H,17,19);1H
InChIKeyPFCFSOLNGMMNMF-UHFFFAOYSA-N
MW325.87 g/mol
LogP2.87
Rot. Bonds5

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

2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119795780) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119795780
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1ccc(C(C)CNC(=O)c2csc(CN)n2)cc1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-10-3-5-12(6-4-10)11(2)8-17-15(19)13-9-20-14(7-16)18-13;/h3-6,9,11H,7-8,16H2,1-2H3,(H,17,19);1H
InChIKeyPFCFSOLNGMMNMF-UHFFFAOYSA-N
XLogP2.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119859473
2-(aminomethyl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
CID 119866500
2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048
2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119784039
2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62789147
2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide
CID 115739469
2-(aminomethyl)-N-[2-(4-chlorophenyl)-2-methoxyethyl]-1,3-thiazole-4-carboxamide
CID 119803141
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 95156376
2-(aminomethyl)-N-(2-methoxy-2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 119703923
2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81356924
2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119849775
2-(aminomethyl)-N-(3-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 119790485

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119795780) is 2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cc1ccc(C(C)CNC(=O)c2csc(CN)n2)cc1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is PFCFSOLNGMMNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.ClH/c1-10-3-5-12(6-4-10)11(2)8-17-15(19)13-9-20-14(7-16)18-13;/h3-6,9,11H,7-8,16H2,1-2H3,(H,17,19);1H.
What are the key properties of 2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 325.87 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119795780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).