N-(3,5-dimethylphenyl)-N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

C18H24N2OS — CID 55965667

IUPACN-(3,5-dimethylphenyl)-N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(C(=O)Cc1csc(C(C)C)n1)c1cc(C)cc(C)c1
InChIInChI=1S/C18H24N2OS/c1-6-20(16-8-13(4)7-14(5)9-16)17(21)10-15-11-22-18(19-15)12(2)3/h7-9,11-12H,6,10H2,1-5H3
InChIKeyVTZGXHUATOVGAN-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.48
Rot. Bonds5

About N-(3,5-dimethylphenyl)-N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

N-(3,5-dimethylphenyl)-N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55965667) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55965667
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-(3,5-dimethylphenyl)-N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(C(=O)Cc1csc(C(C)C)n1)c1cc(C)cc(C)c1
InChIInChI=1S/C18H24N2OS/c1-6-20(16-8-13(4)7-14(5)9-16)17(21)10-15-11-22-18(19-15)12(2)3/h7-9,11-12H,6,10H2,1-5H3
InChIKeyVTZGXHUATOVGAN-UHFFFAOYSA-N
XLogP4.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 111596280
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47031583
ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate
CID 80574171
N-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide
CID 75417005
N-(3,5-dimethylphenyl)-N-ethyl-2-phenylacetamide
CID 55592045
N-(2,5-dimethylphenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38884969
(2,4-dimethylphenyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 55687094
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
N-(2-ethyl-2-hydroxybutyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 111463295
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (CID 55965667) is N-(3,5-dimethylphenyl)-N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is CCN(C(=O)Cc1csc(C(C)C)n1)c1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is VTZGXHUATOVGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-6-20(16-8-13(4)7-14(5)9-16)17(21)10-15-11-22-18(19-15)12(2)3/h7-9,11-12H,6,10H2,1-5H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
N-(3,5-dimethylphenyl)-N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 316.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55965667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).