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

C6H8N2O2S — CID 22250124

IUPAC2-(ethylamino)-1,3-thiazole-4-carboxylic acid
SMILESCCNc1nc(C(=O)O)cs1
InChIInChI=1S/C6H8N2O2S/c1-2-7-6-8-4(3-11-6)5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyWSXITIJJLMMEAP-UHFFFAOYSA-N
MW172.21 g/mol
LogP1.27
Rot. Bonds3

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

2-(ethylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 22250124) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-(ethylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(ethylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID22250124
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name2-(ethylamino)-1,3-thiazole-4-carboxylic acid
SMILESCCNc1nc(C(=O)O)cs1
InChIInChI=1S/C6H8N2O2S/c1-2-7-6-8-4(3-11-6)5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyWSXITIJJLMMEAP-UHFFFAOYSA-N
XLogP1.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(ethylamino)-1,3-thiazole-4-carboxylic acid (CID 22250124) is 2-(ethylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(ethylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(ethylamino)-1,3-thiazole-4-carboxylic acid is CCNc1nc(C(=O)O)cs1.
What is the InChIKey of 2-(ethylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is WSXITIJJLMMEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-2-7-6-8-4(3-11-6)5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-(ethylamino)-1,3-thiazole-4-carboxylic acid?
2-(ethylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 172.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 22250124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).