2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C16H21N3OS — CID 110387274

IUPAC2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2sc(CN(C)C)nc2C)cc1
InChIInChI=1S/C16H21N3OS/c1-5-12-6-8-13(9-7-12)18-16(20)15-11(2)17-14(21-15)10-19(3)4/h6-9H,5,10H2,1-4H3,(H,18,20)
InChIKeyVJYGYALIDIMHKL-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.33
Rot. Bonds5

About 2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110387274) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID110387274
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2sc(CN(C)C)nc2C)cc1
InChIInChI=1S/C16H21N3OS/c1-5-12-6-8-13(9-7-12)18-16(20)15-11(2)17-14(21-15)10-19(3)4/h6-9H,5,10H2,1-4H3,(H,18,20)
InChIKeyVJYGYALIDIMHKL-UHFFFAOYSA-N
XLogP3.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 110387303
N-(4-ethylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387139
2-amino-N-[4-[(dimethylamino)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62794096
N-(3-cyanophenyl)-2-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 110387311
2-(4-ethylphenyl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 27674605
2-benzyl-4-methyl-N-[4-(propanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55788388
2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 49321700
3-[[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoyl]amino]propanoic acid
CID 119222870
3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 61089660
N-(4-ethylphenyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39004841
N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152980
2-[(4-fluorophenyl)methyl]-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55650082

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 110387274) is 2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCc1ccc(NC(=O)c2sc(CN(C)C)nc2C)cc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VJYGYALIDIMHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-5-12-6-8-13(9-7-12)18-16(20)15-11(2)17-14(21-15)10-19(3)4/h6-9H,5,10H2,1-4H3,(H,18,20).
What are the key properties of 2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110387274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).