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

C14H18ClN3OS — CID 119503151

IUPACN-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1csc(-c2ccccc2C)n1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-10-5-3-4-6-11(10)14-17-12(9-19-14)13(18)16-8-7-15-2;/h3-6,9,15H,7-8H2,1-2H3,(H,16,18);1H
InChIKeyFDAZUJZAKSGKOZ-UHFFFAOYSA-N
MW311.84 g/mol
LogP2.49
Rot. Bonds5

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

N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119503151) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119503151
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC NameN-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1csc(-c2ccccc2C)n1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-10-5-3-4-6-11(10)14-17-12(9-19-14)13(18)16-8-7-15-2;/h3-6,9,15H,7-8H2,1-2H3,(H,16,18);1H
InChIKeyFDAZUJZAKSGKOZ-UHFFFAOYSA-N
XLogP2.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119508196
N-[2-(methylamino)propyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120830156
6-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 119219951
2-(2-chlorophenyl)-N-[3-(methylamino)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119431166
N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119504269
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119608056
N-[(2-hydroxycyclopentyl)methyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 111471360
N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119571134
2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120826543
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119434137
2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 15623106
2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide
CID 135869459

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119503151) is N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride is CNCCNC(=O)c1csc(-c2ccccc2C)n1.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is FDAZUJZAKSGKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.ClH/c1-10-5-3-4-6-11(10)14-17-12(9-19-14)13(18)16-8-7-15-2;/h3-6,9,15H,7-8H2,1-2H3,(H,16,18);1H.
What are the key properties of N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119503151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).