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

C11H12N2O2S2 — CID 104838198

IUPAC4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(Cc2nc(C)cs2)sc1C(=O)O
InChIInChI=1S/C11H12N2O2S2/c1-3-7-10(11(14)15)17-9(13-7)4-8-12-6(2)5-16-8/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyVZIWIXVBRNDVLQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.76
Rot. Bonds4

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

4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 104838198) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID104838198
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(Cc2nc(C)cs2)sc1C(=O)O
InChIInChI=1S/C11H12N2O2S2/c1-3-7-10(11(14)15)17-9(13-7)4-8-12-6(2)5-16-8/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyVZIWIXVBRNDVLQ-UHFFFAOYSA-N
XLogP2.76
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Ethyl-2-methyl-1,3-thiazole-5-carboxylic acid
CID 14648765
4-(1-Fluoroethyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 85797292
2,4-Diethylthiazole-5-carboxylic acid
CID 14653143
4-Ethyl-2-(4-ethyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid
CID 86035535
2-[(4-Methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 116276439
2-[(2-Methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 116276514
2-(4-Methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 116276644
4-Ethyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 19885544
4-Ethyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 19885567
2-Tert-butyl-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 53725173
2,4-Diethyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 67869484
4-Ethyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 67897938

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid (CID 104838198) is 4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid is CCc1nc(Cc2nc(C)cs2)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is VZIWIXVBRNDVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-3-7-10(11(14)15)17-9(13-7)4-8-12-6(2)5-16-8/h5H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.76, 4 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)methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 104838198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).