4-(ethylaminomethyl)-1,3-thiazole-5-carboxylic acid

C7H10N2O2S — CID 117214400

IUPAC4-(ethylaminomethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCNCc1ncsc1C(=O)O
InChIInChI=1S/C7H10N2O2S/c1-2-8-3-5-6(7(10)11)12-4-9-5/h4,8H,2-3H2,1H3,(H,10,11)
InChIKeyJNUIPDHESDJRDF-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.95
Rot. Bonds4

About 4-(ethylaminomethyl)-1,3-thiazole-5-carboxylic acid

4-(ethylaminomethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 117214400) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(ethylaminomethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID117214400
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name4-(ethylaminomethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCNCc1ncsc1C(=O)O
InChIInChI=1S/C7H10N2O2S/c1-2-8-3-5-6(7(10)11)12-4-9-5/h4,8H,2-3H2,1H3,(H,10,11)
InChIKeyJNUIPDHESDJRDF-UHFFFAOYSA-N
XLogP0.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(ethylaminomethyl)-1,3-thiazole-5-carboxylic acid (CID 117214400) is 4-(ethylaminomethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(ethylaminomethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(ethylaminomethyl)-1,3-thiazole-5-carboxylic acid is CCNCc1ncsc1C(=O)O.
What is the InChIKey of 4-(ethylaminomethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is JNUIPDHESDJRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-8-3-5-6(7(10)11)12-4-9-5/h4,8H,2-3H2,1H3,(H,10,11).
What are the key properties of 4-(ethylaminomethyl)-1,3-thiazole-5-carboxylic acid?
4-(ethylaminomethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 186.24 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 117214400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).