N-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide

C14H16N2O2S — CID 16768974

IUPACN-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CO)cs1)c1c(C)cccc1C
InChIInChI=1S/C14H16N2O2S/c1-9-5-4-6-10(2)13(9)16(11(3)18)14-15-12(7-17)8-19-14/h4-6,8,17H,7H2,1-3H3
InChIKeyXWLCTMLFKPMNKB-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.94
Rot. Bonds3

About N-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide

N-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 16768974) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID16768974
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CO)cs1)c1c(C)cccc1C
InChIInChI=1S/C14H16N2O2S/c1-9-5-4-6-10(2)13(9)16(11(3)18)14-15-12(7-17)8-19-14/h4-6,8,17H,7H2,1-3H3
InChIKeyXWLCTMLFKPMNKB-UHFFFAOYSA-N
XLogP2.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-N-[4-(quinolin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 7754704
[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 4-(dimethylamino)benzoate
CID 8533364
[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8635871
[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
CID 8682895
[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate
CID 8527095
[2-(N-acetyl-2,4,6-trimethylanilino)-1,3-thiazol-4-yl]methyl 2,3-dimethylbenzoate
CID 7968228
ethyl 1-[[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
CID 8772824
ethyl N-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]carbamate
CID 9076028
N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide
CID 9120876
N-(2,3-dimethylphenyl)-N-[4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 52728155
N-[4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8907868
2-[[2-(N-acetyl-2,4,6-trimethylanilino)-1,3-thiazol-4-yl]methylamino]-N-methylacetamide
CID 8772344

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide (CID 16768974) is N-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(CO)cs1)c1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is XWLCTMLFKPMNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-5-4-6-10(2)13(9)16(11(3)18)14-15-12(7-17)8-19-14/h4-6,8,17H,7H2,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide?
N-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 276.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16768974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).