N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide

C19H20N2OS — CID 23822147

IUPACN-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1ncc(Cc2cccc3ccccc23)s1
InChIInChI=1S/C19H20N2OS/c1-2-3-11-18(22)21-19-20-13-16(23-19)12-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,13H,2-3,11-12H2,1H3,(H,20,21,22)
InChIKeyOFIBTGMRNOEKDY-UHFFFAOYSA-N
MW324.45 g/mol
LogP5.02
Rot. Bonds6

About N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide

N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide (PubChem CID 23822147) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide
PubChem CID23822147
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC NameN-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1ncc(Cc2cccc3ccccc23)s1
InChIInChI=1S/C19H20N2OS/c1-2-3-11-18(22)21-19-20-13-16(23-19)12-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,13H,2-3,11-12H2,1H3,(H,20,21,22)
InChIKeyOFIBTGMRNOEKDY-UHFFFAOYSA-N
XLogP5.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.45
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 18836401
2-(2-formylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 18827916
2-(4-tert-butylphenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 18836407
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 2282754
2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 1371006
N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18827903
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 35955297
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide
CID 3928998
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2227870
N-[[2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82514648
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide
CID 46970393

Frequently Asked Questions

What is the IUPAC name of N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide (CID 23822147) is N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide is CCCCC(=O)Nc1ncc(Cc2cccc3ccccc23)s1.
What is the InChIKey of N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide?
The InChIKey is OFIBTGMRNOEKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-2-3-11-18(22)21-19-20-13-16(23-19)12-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,13H,2-3,11-12H2,1H3,(H,20,21,22).
What are the key properties of N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide?
N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide has a molecular weight of 324.45 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 23822147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).