N,N-diethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide

C21H24N2OS — CID 84561392

IUPACN,N-diethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
SMILESCCN(CC)C(=O)Cc1sc(Cc2cccc3ccccc23)nc1C
InChIInChI=1S/C21H24N2OS/c1-4-23(5-2)21(24)14-19-15(3)22-20(25-19)13-17-11-8-10-16-9-6-7-12-18(16)17/h6-12H,4-5,13-14H2,1-3H3
InChIKeyDPXJSRWPLLRSBC-UHFFFAOYSA-N
MW352.50 g/mol
LogP4.61
Rot. Bonds6

About N,N-diethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide

N,N-diethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 84561392) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is N,N-diethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
PubChem CID84561392
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC NameN,N-diethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
SMILESCCN(CC)C(=O)Cc1sc(Cc2cccc3ccccc23)nc1C
InChIInChI=1S/C21H24N2OS/c1-4-23(5-2)21(24)14-19-15(3)22-20(25-19)13-17-11-8-10-16-9-6-7-12-18(16)17/h6-12H,4-5,13-14H2,1-3H3
InChIKeyDPXJSRWPLLRSBC-UHFFFAOYSA-N
XLogP4.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 84561397
N-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84564602
[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82425639
N,N-diethyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)acetamide
CID 110328872
N-(2-acetamidoethyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84564614
N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565270
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide
CID 84564619
N-(2-hydroxy-5-methylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565253
N-(3-acetylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565256
N-(2-butan-2-ylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565325
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 84565267
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-propoxyphenyl)acetamide
CID 84565282

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (CID 84561392) is N,N-diethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is CCN(CC)C(=O)Cc1sc(Cc2cccc3ccccc23)nc1C.
What is the InChIKey of N,N-diethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is DPXJSRWPLLRSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-4-23(5-2)21(24)14-19-15(3)22-20(25-19)13-17-11-8-10-16-9-6-7-12-18(16)17/h6-12H,4-5,13-14H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
N,N-diethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 352.50 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 84561392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).