5-bromo-N-tert-butylthiophene-3-carboxamide

C9H12BrNOS — CID 37132948

IUPAC5-bromo-N-tert-butylthiophene-3-carboxamide
SMILESCC(C)(C)NC(=O)c1csc(Br)c1
InChIInChI=1S/C9H12BrNOS/c1-9(2,3)11-8(12)6-4-7(10)13-5-6/h4-5H,1-3H3,(H,11,12)
InChIKeyUCYPXZXTNULDOH-UHFFFAOYSA-N
MW262.17 g/mol
LogP3.04
Rot. Bonds1

About 5-bromo-N-tert-butylthiophene-3-carboxamide

5-bromo-N-tert-butylthiophene-3-carboxamide (PubChem CID 37132948) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 5-bromo-N-tert-butylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-tert-butylthiophene-3-carboxamide
PubChem CID37132948
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name5-bromo-N-tert-butylthiophene-3-carboxamide
SMILESCC(C)(C)NC(=O)c1csc(Br)c1
InChIInChI=1S/C9H12BrNOS/c1-9(2,3)11-8(12)6-4-7(10)13-5-6/h4-5H,1-3H3,(H,11,12)
InChIKeyUCYPXZXTNULDOH-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butylthiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-tert-butylthiophene-3-carboxamide (CID 37132948) is 5-bromo-N-tert-butylthiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-tert-butylthiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-tert-butylthiophene-3-carboxamide is CC(C)(C)NC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-tert-butylthiophene-3-carboxamide?
The InChIKey is UCYPXZXTNULDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-9(2,3)11-8(12)6-4-7(10)13-5-6/h4-5H,1-3H3,(H,11,12).
What are the key properties of 5-bromo-N-tert-butylthiophene-3-carboxamide?
5-bromo-N-tert-butylthiophene-3-carboxamide has a molecular weight of 262.17 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butylthiophene-3-carboxamide is sourced from PubChem (CID 37132948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).