N-(3-ethylphenyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetamide

C15H19N3OS — CID 126811732

IUPACN-(3-ethylphenyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetamide
SMILESCCc1cccc(NC(=O)CN(C)Cc2nccs2)c1
InChIInChI=1S/C15H19N3OS/c1-3-12-5-4-6-13(9-12)17-14(19)10-18(2)11-15-16-7-8-20-15/h4-9H,3,10-11H2,1-2H3,(H,17,19)
InChIKeyWQJKRYDGSJZWEF-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.78
Rot. Bonds6

About N-(3-ethylphenyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetamide

N-(3-ethylphenyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetamide (PubChem CID 126811732) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetamide
PubChem CID126811732
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(3-ethylphenyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetamide
SMILESCCc1cccc(NC(=O)CN(C)Cc2nccs2)c1
InChIInChI=1S/C15H19N3OS/c1-3-12-5-4-6-13(9-12)17-14(19)10-18(2)11-15-16-7-8-20-15/h4-9H,3,10-11H2,1-2H3,(H,17,19)
InChIKeyWQJKRYDGSJZWEF-UHFFFAOYSA-N
XLogP2.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-2-[methyl(1H-pyrazol-4-ylmethyl)amino]acetamide
CID 126811237
3-[3-(ethylsulfanylmethyl)phenyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 71982796
N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339495
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-(3-ethylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 26509200
2-[benzyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134023
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
2-[[2-(3-ethylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197882
3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 33437863
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
ethyl 2-[[2-[3-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63380543
ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate
CID 79421858

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetamide (CID 126811732) is N-(3-ethylphenyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetamide is CCc1cccc(NC(=O)CN(C)Cc2nccs2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetamide?
The InChIKey is WQJKRYDGSJZWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-12-5-4-6-13(9-12)17-14(19)10-18(2)11-15-16-7-8-20-15/h4-9H,3,10-11H2,1-2H3,(H,17,19).
What are the key properties of N-(3-ethylphenyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetamide?
N-(3-ethylphenyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetamide has a molecular weight of 289.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 126811732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).