5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide

C8H10BrNO2S — CID 43418201

IUPAC5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
SMILESCC(O)CNC(=O)c1csc(Br)c1
InChIInChI=1S/C8H10BrNO2S/c1-5(11)3-10-8(12)6-2-7(9)13-4-6/h2,4-5,11H,3H2,1H3,(H,10,12)
InChIKeyFKSXGOPRMGCZDB-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.62
Rot. Bonds3

About 5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide

5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide (PubChem CID 43418201) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
PubChem CID43418201
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
SMILESCC(O)CNC(=O)c1csc(Br)c1
InChIInChI=1S/C8H10BrNO2S/c1-5(11)3-10-8(12)6-2-7(9)13-4-6/h2,4-5,11H,3H2,1H3,(H,10,12)
InChIKeyFKSXGOPRMGCZDB-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide
CID 107963728
5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
CID 78965929
(2S)-3-[(5-bromothiophene-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833350
N-(2-hydroxypropyl)-5-iodothiophene-3-carboxamide
CID 79693045
N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromothiophene-3-carboxamide
CID 107965180
5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide
CID 107966140
5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
CID 61061664
5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide
CID 107966179
5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide
CID 54907003
3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
CID 103909431
4-[(5-bromothiophene-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538251
3-[(5-bromothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 62884007

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide (CID 43418201) is 5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide is CC(O)CNC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide?
The InChIKey is FKSXGOPRMGCZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-5(11)3-10-8(12)6-2-7(9)13-4-6/h2,4-5,11H,3H2,1H3,(H,10,12).
What are the key properties of 5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide?
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide has a molecular weight of 264.14 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide is sourced from PubChem (CID 43418201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).