N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C18H19N3OS — CID 2579290

IUPACN-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(CNC(=O)Cc2csc(-c3ccccc3)n2)n1C
InChIInChI=1S/C18H19N3OS/c1-13-8-9-16(21(13)2)11-19-17(22)10-15-12-23-18(20-15)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,22)
InChIKeyDDMASNGTFKFYQN-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.32
Rot. Bonds5

About N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 2579290) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID2579290
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(CNC(=O)Cc2csc(-c3ccccc3)n2)n1C
InChIInChI=1S/C18H19N3OS/c1-13-8-9-16(21(13)2)11-19-17(22)10-15-12-23-18(20-15)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,22)
InChIKeyDDMASNGTFKFYQN-UHFFFAOYSA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
N-[(4-acetamidophenyl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18153830
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 42331176
N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 155917637
N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 4800325
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 24675874
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 9455412
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9488944
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 34071150

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 2579290) is N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is Cc1ccc(CNC(=O)Cc2csc(-c3ccccc3)n2)n1C.
What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is DDMASNGTFKFYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-8-9-16(21(13)2)11-19-17(22)10-15-12-23-18(20-15)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 325.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 2579290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).