5-(ethylamino)-3-methyl-1,2-thiazole-4-carboxylic acid

C7H10N2O2S — CID 16767956

IUPAC5-(ethylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCCNc1snc(C)c1C(=O)O
InChIInChI=1S/C7H10N2O2S/c1-3-8-6-5(7(10)11)4(2)9-12-6/h8H,3H2,1-2H3,(H,10,11)
InChIKeyMDAKBDRWQPSQEQ-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.58
Rot. Bonds3

About 5-(ethylamino)-3-methyl-1,2-thiazole-4-carboxylic acid

5-(ethylamino)-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 16767956) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 5-(ethylamino)-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(ethylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID16767956
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name5-(ethylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCCNc1snc(C)c1C(=O)O
InChIInChI=1S/C7H10N2O2S/c1-3-8-6-5(7(10)11)4(2)9-12-6/h8H,3H2,1-2H3,(H,10,11)
InChIKeyMDAKBDRWQPSQEQ-UHFFFAOYSA-N
XLogP1.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-(ethylamino)-3-methyl-1,2-thiazole-4-carboxylic acid (CID 16767956) is 5-(ethylamino)-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(ethylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(ethylamino)-3-methyl-1,2-thiazole-4-carboxylic acid is CCNc1snc(C)c1C(=O)O.
What is the InChIKey of 5-(ethylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is MDAKBDRWQPSQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3-8-6-5(7(10)11)4(2)9-12-6/h8H,3H2,1-2H3,(H,10,11).
What are the key properties of 5-(ethylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
5-(ethylamino)-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 186.24 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 16767956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).