3-amino-5-(3-ethylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid

C14H17NO2S2 — CID 83036626

IUPAC3-amino-5-(3-ethylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid
SMILESCCc1ccsc1-c1sc(C(=O)O)c(N)c1C(C)C
InChIInChI=1S/C14H17NO2S2/c1-4-8-5-6-18-11(8)12-9(7(2)3)10(15)13(19-12)14(16)17/h5-7H,4,15H2,1-3H3,(H,16,17)
InChIKeyDAQXHBCTOWNCFO-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.44
Rot. Bonds4

About 3-amino-5-(3-ethylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid

3-amino-5-(3-ethylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid (PubChem CID 83036626) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-amino-5-(3-ethylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(3-ethylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid
PubChem CID83036626
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC Name3-amino-5-(3-ethylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid
SMILESCCc1ccsc1-c1sc(C(=O)O)c(N)c1C(C)C
InChIInChI=1S/C14H17NO2S2/c1-4-8-5-6-18-11(8)12-9(7(2)3)10(15)13(19-12)14(16)17/h5-7H,4,15H2,1-3H3,(H,16,17)
InChIKeyDAQXHBCTOWNCFO-UHFFFAOYSA-N
XLogP4.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-ethylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(3-ethylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid (CID 83036626) is 3-amino-5-(3-ethylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(3-ethylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(3-ethylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid is CCc1ccsc1-c1sc(C(=O)O)c(N)c1C(C)C.
What is the InChIKey of 3-amino-5-(3-ethylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid?
The InChIKey is DAQXHBCTOWNCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-4-8-5-6-18-11(8)12-9(7(2)3)10(15)13(19-12)14(16)17/h5-7H,4,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-5-(3-ethylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid?
3-amino-5-(3-ethylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid has a molecular weight of 295.43 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-ethylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 83036626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).