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

C14H18ClN3OS — CID 119681703

IUPAC2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1CN(C)C(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-10-5-3-4-6-11(10)8-17(2)14(18)12-9-19-13(7-15)16-12;/h3-6,9H,7-8,15H2,1-2H3;1H
InChIKeyHCIDCTZUCPWMCK-UHFFFAOYSA-N
MW311.84 g/mol
LogP2.60
Rot. Bonds4

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

2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119681703) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119681703
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1CN(C)C(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-10-5-3-4-6-11(10)8-17(2)14(18)12-9-19-13(7-15)16-12;/h3-6,9H,7-8,15H2,1-2H3;1H
InChIKeyHCIDCTZUCPWMCK-UHFFFAOYSA-N
XLogP2.60
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66388082
2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66376486
2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 79378500
2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119694671
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66377068
2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377067
2-[2-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82295816
2-(2-aminoethyl)-N-(1-benzothiophen-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 120620568
2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66377451
3-amino-N-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 61094457
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119727054
2-(aminomethyl)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119740731

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119681703) is 2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cc1ccccc1CN(C)C(=O)c1csc(CN)n1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is HCIDCTZUCPWMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.ClH/c1-10-5-3-4-6-11(10)8-17(2)14(18)12-9-19-13(7-15)16-12;/h3-6,9H,7-8,15H2,1-2H3;1H.
What are the key properties of 2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119681703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).