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

C5H6N2O2S — CID 22099290

IUPAC5-(aminomethyl)-1,3-thiazole-2-carboxylic acid
SMILESNCc1cnc(C(=O)O)s1
InChIInChI=1S/C5H6N2O2S/c6-1-3-2-7-4(10-3)5(8)9/h2H,1,6H2,(H,8,9)
InChIKeyKQFQAICBPMSDBD-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.30
Rot. Bonds2

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

5-(aminomethyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 22099290) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 5-(aminomethyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-1,3-thiazole-2-carboxylic acid
PubChem CID22099290
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name5-(aminomethyl)-1,3-thiazole-2-carboxylic acid
SMILESNCc1cnc(C(=O)O)s1
InChIInChI=1S/C5H6N2O2S/c6-1-3-2-7-4(10-3)5(8)9/h2H,1,6H2,(H,8,9)
InChIKeyKQFQAICBPMSDBD-UHFFFAOYSA-N
XLogP0.30
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-1,3-thiazole-2-carboxylic acid (CID 22099290) is 5-(aminomethyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-1,3-thiazole-2-carboxylic acid is NCc1cnc(C(=O)O)s1.
What is the InChIKey of 5-(aminomethyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is KQFQAICBPMSDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c6-1-3-2-7-4(10-3)5(8)9/h2H,1,6H2,(H,8,9).
What are the key properties of 5-(aminomethyl)-1,3-thiazole-2-carboxylic acid?
5-(aminomethyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 158.18 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 22099290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).