4-(aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid

C7H10N2O2S — CID 57041280

IUPAC4-(aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid
SMILESCCc1sc(C(=O)O)nc1CN
InChIInChI=1S/C7H10N2O2S/c1-2-5-4(3-8)9-6(12-5)7(10)11/h2-3,8H2,1H3,(H,10,11)
InChIKeySNXBHLULXRBHIC-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.86
Rot. Bonds3

About 4-(aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid

4-(aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid (PubChem CID 57041280) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-(aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid
PubChem CID57041280
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name4-(aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid
SMILESCCc1sc(C(=O)O)nc1CN
InChIInChI=1S/C7H10N2O2S/c1-2-5-4(3-8)9-6(12-5)7(10)11/h2-3,8H2,1H3,(H,10,11)
InChIKeySNXBHLULXRBHIC-UHFFFAOYSA-N
XLogP0.86
TPSA76.21 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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid (CID 57041280) is 4-(aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid is CCc1sc(C(=O)O)nc1CN.
What is the InChIKey of 4-(aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid?
The InChIKey is SNXBHLULXRBHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-5-4(3-8)9-6(12-5)7(10)11/h2-3,8H2,1H3,(H,10,11).
What are the key properties of 4-(aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid?
4-(aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid has a molecular weight of 186.24 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 57041280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).