2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride

C14H19Cl2N3OS — CID 119437898

IUPAC2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCNCc1ccccc1NC(=O)c1sc(C)nc1C.Cl.Cl
InChIInChI=1S/C14H17N3OS.2ClH/c1-9-13(19-10(2)16-9)14(18)17-12-7-5-4-6-11(12)8-15-3;;/h4-7,15H,8H2,1-3H3,(H,17,18);2*1H
InChIKeyYACOHTMUMBSKAF-UHFFFAOYSA-N
MW348.30 g/mol
LogP3.58
Rot. Bonds4

About 2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride

2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119437898) has the molecular formula C14H19Cl2N3OS and a molecular weight of 348.30 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119437898
Molecular FormulaC14H19Cl2N3OS
Molecular Weight348.30 g/mol
Exact Mass347.06
IUPAC Name2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCNCc1ccccc1NC(=O)c1sc(C)nc1C.Cl.Cl
InChIInChI=1S/C14H17N3OS.2ClH/c1-9-13(19-10(2)16-9)14(18)17-12-7-5-4-6-11(12)8-15-3;;/h4-7,15H,8H2,1-3H3,(H,17,18);2*1H
InChIKeyYACOHTMUMBSKAF-UHFFFAOYSA-N
XLogP3.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119441008
N-[2-(ethylaminomethyl)phenyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119439221
2,4-dimethyl-N-[2-(2,4,5-trifluorophenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 66864550
2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 78775254
2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 63724956
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 39911869
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45029639
3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601073
2-[2-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid
CID 119218384
2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 71805033
N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 16644290

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119437898) is 2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride is CNCc1ccccc1NC(=O)c1sc(C)nc1C.Cl.Cl.
What is the InChIKey of 2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is YACOHTMUMBSKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.2ClH/c1-9-13(19-10(2)16-9)14(18)17-12-7-5-4-6-11(12)8-15-3;;/h4-7,15H,8H2,1-3H3,(H,17,18);2*1H.
What are the key properties of 2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 348.30 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119437898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).