2-[(dimethylamino)methyl]-N-ethyl-N-[2-(3-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide

C18H25N3O2S — CID 50969969

IUPAC2-[(dimethylamino)methyl]-N-ethyl-N-[2-(3-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
SMILESCCN(CCOc1cccc(C)c1)C(=O)c1csc(CN(C)C)n1
InChIInChI=1S/C18H25N3O2S/c1-5-21(9-10-23-15-8-6-7-14(2)11-15)18(22)16-13-24-17(19-16)12-20(3)4/h6-8,11,13H,5,9-10,12H2,1-4H3
InChIKeyWUCDALLRGXFFJS-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.05
Rot. Bonds8

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

2-[(dimethylamino)methyl]-N-ethyl-N-[2-(3-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 50969969) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-ethyl-N-[2-(3-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-ethyl-N-[2-(3-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID50969969
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-[(dimethylamino)methyl]-N-ethyl-N-[2-(3-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
SMILESCCN(CCOc1cccc(C)c1)C(=O)c1csc(CN(C)C)n1
InChIInChI=1S/C18H25N3O2S/c1-5-21(9-10-23-15-8-6-7-14(2)11-15)18(22)16-13-24-17(19-16)12-20(3)4/h6-8,11,13H,5,9-10,12H2,1-4H3
InChIKeyWUCDALLRGXFFJS-UHFFFAOYSA-N
XLogP3.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-ethyl-N-[2-(3-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(dimethylamino)methyl]-N-ethyl-N-[2-(3-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide (CID 50969969) is 2-[(dimethylamino)methyl]-N-ethyl-N-[2-(3-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-ethyl-N-[2-(3-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-ethyl-N-[2-(3-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide is CCN(CCOc1cccc(C)c1)C(=O)c1csc(CN(C)C)n1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-ethyl-N-[2-(3-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WUCDALLRGXFFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-5-21(9-10-23-15-8-6-7-14(2)11-15)18(22)16-13-24-17(19-16)12-20(3)4/h6-8,11,13H,5,9-10,12H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-ethyl-N-[2-(3-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide?
2-[(dimethylamino)methyl]-N-ethyl-N-[2-(3-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-ethyl-N-[2-(3-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50969969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).