5-acetyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid

C10H8N2O3S2 — CID 106696197

IUPAC5-acetyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(-c2nc(C)cs2)nc1C(=O)O
InChIInChI=1S/C10H8N2O3S2/c1-4-3-16-8(11-4)9-12-6(10(14)15)7(17-9)5(2)13/h3H,1-2H3,(H,14,15)
InChIKeyRDNMRAMRMVMZSO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.48
Rot. Bonds3

About 5-acetyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid

5-acetyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106696197) has the molecular formula C10H8N2O3S2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-acetyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID106696197
Molecular FormulaC10H8N2O3S2
Molecular Weight268.32 g/mol
Exact Mass268.00
IUPAC Name5-acetyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(-c2nc(C)cs2)nc1C(=O)O
InChIInChI=1S/C10H8N2O3S2/c1-4-3-16-8(11-4)9-12-6(10(14)15)7(17-9)5(2)13/h3H,1-2H3,(H,14,15)
InChIKeyRDNMRAMRMVMZSO-UHFFFAOYSA-N
XLogP2.48
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Acetyl-2-methyl-1,3-thiazole-4-carboxylic acid
CID 58356418
4-Ethyl-2-(4-ethyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid
CID 86035535
5-Acetyl-2-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylic acid
CID 106696439
Methyl 5-acetyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate
CID 10564841
5-Ethyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid
CID 70907462
4-Acetyl-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 170323402
5-Ethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazole-4-carboxylic acid
CID 80319894
5-Acetyl-2-cyclopropyl-1,3-thiazole-4-carboxylic acid
CID 103756110
5-Methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid
CID 104770828
4-Ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 104838198
4-Ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 104838344
4-Ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid
CID 104840815

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid (CID 106696197) is 5-acetyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(-c2nc(C)cs2)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is RDNMRAMRMVMZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S2/c1-4-3-16-8(11-4)9-12-6(10(14)15)7(17-9)5(2)13/h3H,1-2H3,(H,14,15).
What are the key properties of 5-acetyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 268.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106696197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).