2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C11H13N3OS — CID 110688880

IUPAC2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(C)n1CC(=O)Nc1nccs1
InChIInChI=1S/C11H13N3OS/c1-8-3-4-9(2)14(8)7-10(15)13-11-12-5-6-16-11/h3-6H,7H2,1-2H3,(H,12,13,15)
InChIKeyWPSVSJLPFRIMMS-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.20
Rot. Bonds3

About 2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 110688880) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID110688880
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(C)n1CC(=O)Nc1nccs1
InChIInChI=1S/C11H13N3OS/c1-8-3-4-9(2)14(8)7-10(15)13-11-12-5-6-16-11/h3-6H,7H2,1-2H3,(H,12,13,15)
InChIKeyWPSVSJLPFRIMMS-UHFFFAOYSA-N
XLogP2.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82225310
2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 6468138
2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide
CID 125483975
2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)acetamide
CID 66521973
2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 854633
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
3-(2-methylhydrazinyl)-3-oxo-N-(1,3-thiazol-2-yl)propanamide
CID 129281286
2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 25475294
4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23849935

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 110688880) is 2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is Cc1ccc(C)n1CC(=O)Nc1nccs1.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is WPSVSJLPFRIMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-3-4-9(2)14(8)7-10(15)13-11-12-5-6-16-11/h3-6H,7H2,1-2H3,(H,12,13,15).
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 235.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 110688880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).