N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide

C21H25N3OS2 — CID 46593260

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)NCC(c2ccsc2)N(C)C)cc1
InChIInChI=1S/C21H25N3OS2/c1-14-5-7-16(8-6-14)21-19(27-15(2)23-21)11-20(25)22-12-18(24(3)4)17-9-10-26-13-17/h5-10,13,18H,11-12H2,1-4H3,(H,22,25)
InChIKeyYIXYJXPUEWEQPH-UHFFFAOYSA-N
MW399.59 g/mol
LogP4.45
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 46593260) has the molecular formula C21H25N3OS2 and a molecular weight of 399.59 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
PubChem CID46593260
Molecular FormulaC21H25N3OS2
Molecular Weight399.59 g/mol
Exact Mass399.14
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)NCC(c2ccsc2)N(C)C)cc1
InChIInChI=1S/C21H25N3OS2/c1-14-5-7-16(8-6-14)21-19(27-15(2)23-21)11-20(25)22-12-18(24(3)4)17-9-10-26-13-17/h5-10,13,18H,11-12H2,1-4H3,(H,22,25)
InChIKeyYIXYJXPUEWEQPH-UHFFFAOYSA-N
XLogP4.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.59
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]benzamide
CID 134039142
N-benzyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2461104
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2-fluorophenyl)acetamide
CID 32631324
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 42549056
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-carboxamide
CID 32630977
N-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide
CID 94812073
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 29435720
2-(2,4-dichlorophenyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 32631221
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 16931215
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 38094090

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (CID 46593260) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is Cc1ccc(-c2nc(C)sc2CC(=O)NCC(c2ccsc2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is YIXYJXPUEWEQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS2/c1-14-5-7-16(8-6-14)21-19(27-15(2)23-21)11-20(25)22-12-18(24(3)4)17-9-10-26-13-17/h5-10,13,18H,11-12H2,1-4H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 399.59 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 46593260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).