2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride

C14H18ClN3O2S — CID 119739998

IUPAC2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCOc1ccc(NC(=O)c2csc(CN)n2)c(C)c1.Cl
InChIInChI=1S/C14H17N3O2S.ClH/c1-3-19-10-4-5-11(9(2)6-10)17-14(18)12-8-20-13(7-15)16-12;/h4-6,8H,3,7,15H2,1-2H3,(H,17,18);1H
InChIKeyOERDHZRKSPVMNW-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.98
Rot. Bonds5

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

2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119739998) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119739998
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCOc1ccc(NC(=O)c2csc(CN)n2)c(C)c1.Cl
InChIInChI=1S/C14H17N3O2S.ClH/c1-3-19-10-4-5-11(9(2)6-10)17-14(18)12-8-20-13(7-15)16-12;/h4-6,8H,3,7,15H2,1-2H3,(H,17,18);1H
InChIKeyOERDHZRKSPVMNW-UHFFFAOYSA-N
XLogP2.98
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(4-butoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 119739426
2-(2-aminoethyl)-N-(2-methyl-4-propoxyphenyl)-1,3-thiazole-4-carboxamide
CID 120624354
2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66378221
2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119774063
2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119760388
2-(aminomethyl)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 119726889
2-(aminomethyl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119759911
N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 66376845
2-(2-aminoethyl)-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616687
6-chloro-N-(4-ethoxy-2-methylphenyl)pyridazine-3-carboxamide
CID 61041819
2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide
CID 119797765
2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119707103

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119739998) is 2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride is CCOc1ccc(NC(=O)c2csc(CN)n2)c(C)c1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is OERDHZRKSPVMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S.ClH/c1-3-19-10-4-5-11(9(2)6-10)17-14(18)12-8-20-13(7-15)16-12;/h4-6,8H,3,7,15H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 327.84 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119739998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).