N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide

C18H25N3OS — CID 86906795

IUPACN-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(CC)CCNC(=O)Cc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C18H25N3OS/c1-4-21(5-2)11-10-19-17(22)12-16-13-23-18(20-16)15-8-6-14(3)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3,(H,19,22)
InChIKeyBAVWUFMIMGIGNN-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.12
Rot. Bonds8

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

N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 86906795) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID86906795
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC NameN-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(CC)CCNC(=O)Cc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C18H25N3OS/c1-4-21(5-2)11-10-19-17(22)12-16-13-23-18(20-16)15-8-6-14(3)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3,(H,19,22)
InChIKeyBAVWUFMIMGIGNN-UHFFFAOYSA-N
XLogP3.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39084376
N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 32646390
ethyl 4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoate
CID 37258678
N-[2-(dimethylamino)ethyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39084396
N-(3-hydroxy-4-methylpentyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 111461200
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 82548086
N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119640329
N-[2-(4-methoxyphenoxy)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24516189
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55956493
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17398651
N-[2-(benzenesulfonyl)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60515359
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 82547658

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 86906795) is N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is CCN(CC)CCNC(=O)Cc1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is BAVWUFMIMGIGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-4-21(5-2)11-10-19-17(22)12-16-13-23-18(20-16)15-8-6-14(3)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 331.49 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 86906795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).