2-[(dimethylamino)methyl]-N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide

C19H27N3O2S — CID 50951203

IUPAC2-[(dimethylamino)methyl]-N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCc1cccc(C)c1OCCCN(C)C(=O)c1csc(CN(C)C)n1
InChIInChI=1S/C19H27N3O2S/c1-14-8-6-9-15(2)18(14)24-11-7-10-22(5)19(23)16-13-25-17(20-16)12-21(3)4/h6,8-9,13H,7,10-12H2,1-5H3
InChIKeyWMPBXWYSYMHVEQ-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.36
Rot. Bonds8

About 2-[(dimethylamino)methyl]-N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide

2-[(dimethylamino)methyl]-N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 50951203) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID50951203
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name2-[(dimethylamino)methyl]-N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCc1cccc(C)c1OCCCN(C)C(=O)c1csc(CN(C)C)n1
InChIInChI=1S/C19H27N3O2S/c1-14-8-6-9-15(2)18(14)24-11-7-10-22(5)19(23)16-13-25-17(20-16)12-21(3)4/h6,8-9,13H,7,10-12H2,1-5H3
InChIKeyWMPBXWYSYMHVEQ-UHFFFAOYSA-N
XLogP3.36
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66376486
2-(aminomethyl)-N-[3-(3-chlorophenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 119739739
2-[(4-chlorophenoxy)methyl]-N-methyl-N-(3-phenoxypropyl)-1,3-thiazole-4-carboxamide
CID 55654397
2-(2-aminoethyl)-N-[3-(4-fluorophenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623568
N-(3-methoxypropyl)-2-[[3-methoxypropyl-(2-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 4991608
2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbothioamide
CID 82516384
4-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]butanoic acid
CID 119173292
2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119681703
2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120626193
methyl 4-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-methylamino]butanoate
CID 66377077
methyl 2-[[(2,6-dimethylphenyl)carbamoyl-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 5211368
N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46003452

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 50951203) is 2-[(dimethylamino)methyl]-N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide is Cc1cccc(C)c1OCCCN(C)C(=O)c1csc(CN(C)C)n1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is WMPBXWYSYMHVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-14-8-6-9-15(2)18(14)24-11-7-10-22(5)19(23)16-13-25-17(20-16)12-21(3)4/h6,8-9,13H,7,10-12H2,1-5H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-[(dimethylamino)methyl]-N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 3.36, 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-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50951203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).