N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide

C13H14N2OS — CID 43836367

IUPACN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(C)c(Cc2ccccc2)s1
InChIInChI=1S/C13H14N2OS/c1-9-12(8-11-6-4-3-5-7-11)17-13(14-9)15-10(2)16/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyGJDBVNAYSCTEMC-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.00
Rot. Bonds3

About N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide

N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 43836367) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID43836367
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(C)c(Cc2ccccc2)s1
InChIInChI=1S/C13H14N2OS/c1-9-12(8-11-6-4-3-5-7-11)17-13(14-9)15-10(2)16/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyGJDBVNAYSCTEMC-UHFFFAOYSA-N
XLogP3.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 43836729
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2-carboxamide
CID 43836603
2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058750
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide
CID 43837040
N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 43836440
N-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 43836442
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
2-chloro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836464
[4-[[2-acetamido-4-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]phenyl]methanesulfinate
CID 174485516
N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 43836394

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide (CID 43836367) is N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide is CC(=O)Nc1nc(C)c(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is GJDBVNAYSCTEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-12(8-11-6-4-3-5-7-11)17-13(14-9)15-10(2)16/h3-7H,8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide?
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 246.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 43836367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).