3-methyl-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid

C12H12N2O3S2 — CID 43356595

IUPAC3-methyl-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid
SMILESCc1nc(CC(=O)Nc2cc(C)c(C(=O)O)s2)cs1
InChIInChI=1S/C12H12N2O3S2/c1-6-3-10(19-11(6)12(16)17)14-9(15)4-8-5-18-7(2)13-8/h3,5H,4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyOKDSXWBDZDAEPD-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.70
Rot. Bonds4

About 3-methyl-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid

3-methyl-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid (PubChem CID 43356595) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-methyl-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid
PubChem CID43356595
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name3-methyl-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid
SMILESCc1nc(CC(=O)Nc2cc(C)c(C(=O)O)s2)cs1
InChIInChI=1S/C12H12N2O3S2/c1-6-3-10(19-11(6)12(16)17)14-9(15)4-8-5-18-7(2)13-8/h3,5H,4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyOKDSXWBDZDAEPD-UHFFFAOYSA-N
XLogP2.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid (CID 43356595) is 3-methyl-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid is Cc1nc(CC(=O)Nc2cc(C)c(C(=O)O)s2)cs1.
What is the InChIKey of 3-methyl-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid?
The InChIKey is OKDSXWBDZDAEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-6-3-10(19-11(6)12(16)17)14-9(15)4-8-5-18-7(2)13-8/h3,5H,4H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-methyl-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid?
3-methyl-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43356595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).