N-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide

C17H22N2O2S — CID 28935904

IUPACN-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
SMILESCCCCN(C)C(=O)c1sc(COc2ccccc2)nc1C
InChIInChI=1S/C17H22N2O2S/c1-4-5-11-19(3)17(20)16-13(2)18-15(22-16)12-21-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3
InChIKeyAEXGEVGNWIHIGF-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.90
Rot. Bonds7

About N-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide

N-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide (PubChem CID 28935904) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
PubChem CID28935904
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
SMILESCCCCN(C)C(=O)c1sc(COc2ccccc2)nc1C
InChIInChI=1S/C17H22N2O2S/c1-4-5-11-19(3)17(20)16-13(2)18-15(22-16)12-21-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3
InChIKeyAEXGEVGNWIHIGF-UHFFFAOYSA-N
XLogP3.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenoxy)methyl]-N,4-dimethyl-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide
CID 46586534
3-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119232739
4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 18593832
N,4-dimethyl-2-[(4-methylphenoxy)methyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 18114084
N-[3-(4-chlorophenoxy)propyl]-N,4-dimethyl-2-propyl-1,3-thiazole-5-carboxamide
CID 55898225
N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 24542052
4-methyl-2-[(4-phenylphenoxy)methyl]-1,3-thiazole-5-carboxylic acid
CID 4980797
2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 46440106
N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 112817351
4-methyl-N-(3-methylbutyl)-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936080
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
3-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]-ethylamino]propanoic acid
CID 119191212

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide (CID 28935904) is N-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide is CCCCN(C)C(=O)c1sc(COc2ccccc2)nc1C.
What is the InChIKey of N-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is AEXGEVGNWIHIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-4-5-11-19(3)17(20)16-13(2)18-15(22-16)12-21-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3.
What are the key properties of N-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
N-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,4-dimethyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 28935904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).