2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)thiophene-3-carboxamide

C13H16N2O2S — CID 78838245

IUPAC2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)thiophene-3-carboxamide
SMILESCc1ccc(C)n1-c1sccc1C(=O)NCCO
InChIInChI=1S/C13H16N2O2S/c1-9-3-4-10(2)15(9)13-11(5-8-18-13)12(17)14-6-7-16/h3-5,8,16H,6-7H2,1-2H3,(H,14,17)
InChIKeyRBKRBJBPFAOZEZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.88
Rot. Bonds4

About 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)thiophene-3-carboxamide

2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)thiophene-3-carboxamide (PubChem CID 78838245) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)thiophene-3-carboxamide
PubChem CID78838245
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)thiophene-3-carboxamide
SMILESCc1ccc(C)n1-c1sccc1C(=O)NCCO
InChIInChI=1S/C13H16N2O2S/c1-9-3-4-10(2)15(9)13-11(5-8-18-13)12(17)14-6-7-16/h3-5,8,16H,6-7H2,1-2H3,(H,14,17)
InChIKeyRBKRBJBPFAOZEZ-UHFFFAOYSA-N
XLogP1.88
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)thiophene-3-carboxamide?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)thiophene-3-carboxamide (CID 78838245) is 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)thiophene-3-carboxamide?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)thiophene-3-carboxamide is Cc1ccc(C)n1-c1sccc1C(=O)NCCO.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)thiophene-3-carboxamide?
The InChIKey is RBKRBJBPFAOZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-3-4-10(2)15(9)13-11(5-8-18-13)12(17)14-6-7-16/h3-5,8,16H,6-7H2,1-2H3,(H,14,17).
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)thiophene-3-carboxamide?
2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)thiophene-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)thiophene-3-carboxamide is sourced from PubChem (CID 78838245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).