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

C21H24N2OS — CID 84564602

IUPACN-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(Cc2cccc3ccccc23)sc1CC(=O)NC(C)(C)C
InChIInChI=1S/C21H24N2OS/c1-14-18(13-19(24)23-21(2,3)4)25-20(22-14)12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11H,12-13H2,1-4H3,(H,23,24)
InChIKeyJGZYWHMLXSWVQG-UHFFFAOYSA-N
MW352.50 g/mol
LogP4.65
Rot. Bonds4

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

N-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 84564602) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is N-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
PubChem CID84564602
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC NameN-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(Cc2cccc3ccccc23)sc1CC(=O)NC(C)(C)C
InChIInChI=1S/C21H24N2OS/c1-14-18(13-19(24)23-21(2,3)4)25-20(22-14)12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11H,12-13H2,1-4H3,(H,23,24)
InChIKeyJGZYWHMLXSWVQG-UHFFFAOYSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide (CID 84564602) is N-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is Cc1nc(Cc2cccc3ccccc23)sc1CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is JGZYWHMLXSWVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-14-18(13-19(24)23-21(2,3)4)25-20(22-14)12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11H,12-13H2,1-4H3,(H,23,24).
What are the key properties of N-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide?
N-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 352.50 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 84564602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).