3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid

C14H15NO2S — CID 82302278

IUPAC3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid
SMILESCc1cc(C)c(-c2cc(N)c(C(=O)O)s2)cc1C
InChIInChI=1S/C14H15NO2S/c1-7-4-9(3)10(5-8(7)2)12-6-11(15)13(18-12)14(16)17/h4-6H,15H2,1-3H3,(H,16,17)
InChIKeyBEVBLAMYMFJKTN-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.62
Rot. Bonds2

About 3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid

3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid (PubChem CID 82302278) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid
PubChem CID82302278
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid
SMILESCc1cc(C)c(-c2cc(N)c(C(=O)O)s2)cc1C
InChIInChI=1S/C14H15NO2S/c1-7-4-9(3)10(5-8(7)2)12-6-11(15)13(18-12)14(16)17/h4-6H,15H2,1-3H3,(H,16,17)
InChIKeyBEVBLAMYMFJKTN-UHFFFAOYSA-N
XLogP3.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid (CID 82302278) is 3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid is Cc1cc(C)c(-c2cc(N)c(C(=O)O)s2)cc1C.
What is the InChIKey of 3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid?
The InChIKey is BEVBLAMYMFJKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-7-4-9(3)10(5-8(7)2)12-6-11(15)13(18-12)14(16)17/h4-6H,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid?
3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid has a molecular weight of 261.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 82302278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).