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

C10H10N2O2S2 — CID 104840815

IUPAC4-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(-c2nc(C)cs2)sc1C(=O)O
InChIInChI=1S/C10H10N2O2S2/c1-3-6-7(10(13)14)16-9(12-6)8-11-5(2)4-15-8/h4H,3H2,1-2H3,(H,13,14)
InChIKeyGFHAGMARHKTYFO-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.84
Rot. Bonds3

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

4-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 104840815) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID104840815
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name4-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(-c2nc(C)cs2)sc1C(=O)O
InChIInChI=1S/C10H10N2O2S2/c1-3-6-7(10(13)14)16-9(12-6)8-11-5(2)4-15-8/h4H,3H2,1-2H3,(H,13,14)
InChIKeyGFHAGMARHKTYFO-UHFFFAOYSA-N
XLogP2.84
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid (CID 104840815) is 4-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid is CCc1nc(-c2nc(C)cs2)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is GFHAGMARHKTYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-3-6-7(10(13)14)16-9(12-6)8-11-5(2)4-15-8/h4H,3H2,1-2H3,(H,13,14).
What are the key properties of 4-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 254.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 104840815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).