2,4,5-trimethylthiophene-3-carboxamide

C8H11NOS — CID 59001702

IUPAC2,4,5-trimethylthiophene-3-carboxamide
SMILESCc1sc(C)c(C(N)=O)c1C
InChIInChI=1S/C8H11NOS/c1-4-5(2)11-6(3)7(4)8(9)10/h1-3H3,(H2,9,10)
InChIKeyBQACPNZFEXLORU-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.77
Rot. Bonds1

About 2,4,5-trimethylthiophene-3-carboxamide

2,4,5-trimethylthiophene-3-carboxamide (PubChem CID 59001702) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 2,4,5-trimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethylthiophene-3-carboxamide
PubChem CID59001702
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name2,4,5-trimethylthiophene-3-carboxamide
SMILESCc1sc(C)c(C(N)=O)c1C
InChIInChI=1S/C8H11NOS/c1-4-5(2)11-6(3)7(4)8(9)10/h1-3H3,(H2,9,10)
InChIKeyBQACPNZFEXLORU-UHFFFAOYSA-N
XLogP1.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethylthiophene-3-carboxamide?
The IUPAC name of 2,4,5-trimethylthiophene-3-carboxamide (CID 59001702) is 2,4,5-trimethylthiophene-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethylthiophene-3-carboxamide?
The canonical SMILES for 2,4,5-trimethylthiophene-3-carboxamide is Cc1sc(C)c(C(N)=O)c1C.
What is the InChIKey of 2,4,5-trimethylthiophene-3-carboxamide?
The InChIKey is BQACPNZFEXLORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-4-5(2)11-6(3)7(4)8(9)10/h1-3H3,(H2,9,10).
What are the key properties of 2,4,5-trimethylthiophene-3-carboxamide?
2,4,5-trimethylthiophene-3-carboxamide has a molecular weight of 169.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethylthiophene-3-carboxamide is sourced from PubChem (CID 59001702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).