N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C21H24N4OS — CID 55451565

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CCNC(=O)Cc1csc(-c2cccnc2)n1)c1cccc(C)c1
InChIInChI=1S/C21H24N4OS/c1-3-25(19-8-4-6-16(2)12-19)11-10-23-20(26)13-18-15-27-21(24-18)17-7-5-9-22-14-17/h4-9,12,14-15H,3,10-11,13H2,1-2H3,(H,23,26)
InChIKeyQLNYRMUWRXXBKT-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.70
Rot. Bonds8

About N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55451565) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55451565
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CCNC(=O)Cc1csc(-c2cccnc2)n1)c1cccc(C)c1
InChIInChI=1S/C21H24N4OS/c1-3-25(19-8-4-6-16(2)12-19)11-10-23-20(26)13-18-15-27-21(24-18)17-7-5-9-22-14-17/h4-9,12,14-15H,3,10-11,13H2,1-2H3,(H,23,26)
InChIKeyQLNYRMUWRXXBKT-UHFFFAOYSA-N
XLogP3.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide
CID 60513365
N-(2-acetamidoethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084427
N-[2-(methylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 119502386
N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86911127
N-(2,5-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191562
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55720543
N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119509228
N-(3-butoxypropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 134015193
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51204701
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 86906795
N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 55451565) is N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is CCN(CCNC(=O)Cc1csc(-c2cccnc2)n1)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is QLNYRMUWRXXBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-3-25(19-8-4-6-16(2)12-19)11-10-23-20(26)13-18-15-27-21(24-18)17-7-5-9-22-14-17/h4-9,12,14-15H,3,10-11,13H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 380.52 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55451565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).