1-[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

C15H20N2O2S — CID 47411265

IUPAC1-[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCOCCCc1nc(-c2[nH]c(C)c(C(C)=O)c2C)cs1
InChIInChI=1S/C15H20N2O2S/c1-9-14(11(3)18)10(2)16-15(9)12-8-20-13(17-12)6-5-7-19-4/h8,16H,5-7H2,1-4H3
InChIKeyOGTKERVPSZOPNG-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.54
Rot. Bonds6

About 1-[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

1-[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (PubChem CID 47411265) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
PubChem CID47411265
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCOCCCc1nc(-c2[nH]c(C)c(C(C)=O)c2C)cs1
InChIInChI=1S/C15H20N2O2S/c1-9-14(11(3)18)10(2)16-15(9)12-8-20-13(17-12)6-5-7-19-4/h8,16H,5-7H2,1-4H3
InChIKeyOGTKERVPSZOPNG-UHFFFAOYSA-N
XLogP3.54
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-benzylacetamide
CID 9232946
2-[4-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962858
1-[5-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 9232137
1-[2,4-dimethyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-3-yl]ethanone
CID 8891147
2-[[4-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174239
2-(3-methoxypropyl)-4-(2-methylphenyl)-1,3-thiazole
CID 86845405
methyl 5-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 9232207
N-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 47411263
1-[5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 8964900
3-[4-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzoic acid
CID 51115526
2-(3-methoxypropyl)-1,3-thiazol-4-amine
CID 83108358
methyl 5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8962447

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (CID 47411265) is 1-[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is COCCCc1nc(-c2[nH]c(C)c(C(C)=O)c2C)cs1.
What is the InChIKey of 1-[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The InChIKey is OGTKERVPSZOPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-9-14(11(3)18)10(2)16-15(9)12-8-20-13(17-12)6-5-7-19-4/h8,16H,5-7H2,1-4H3.
What are the key properties of 1-[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
1-[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone has a molecular weight of 292.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 47411265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).