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

C6H8N2O2S — CID 64631696

IUPAC5-(ethylamino)-1,3-thiazole-4-carboxylic acid
SMILESCCNc1scnc1C(=O)O
InChIInChI=1S/C6H8N2O2S/c1-2-7-5-4(6(9)10)8-3-11-5/h3,7H,2H2,1H3,(H,9,10)
InChIKeyUBTQZDUPIHEWEI-UHFFFAOYSA-N
MW172.21 g/mol
LogP1.27
Rot. Bonds3

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

5-(ethylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64631696) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 5-(ethylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(ethylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID64631696
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name5-(ethylamino)-1,3-thiazole-4-carboxylic acid
SMILESCCNc1scnc1C(=O)O
InChIInChI=1S/C6H8N2O2S/c1-2-7-5-4(6(9)10)8-3-11-5/h3,7H,2H2,1H3,(H,9,10)
InChIKeyUBTQZDUPIHEWEI-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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Related Compounds

5-Amino-1,3-thiazole-4-carboxylic acid
CID 23023739
Methyl 5-(methylamino)thiazole-4-carboxylate
CID 12792584
Ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate
CID 54593333
5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 122418608
5-(3-Methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 123918192
5-Piperazin-1-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 145121538
Methyl 5-(ethylamino)-1,3-thiazole-4-carboxylate
CID 12792585
Methyl 5-(propan-2-ylamino)-1,3-thiazole-4-carboxylate
CID 130014232
Ethyl 5-(2,2,2-trifluoroethylamino)-1,3-thiazole-4-carboxylate
CID 64270061
Ethyl 5-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylate
CID 64270691
Ethyl 5-[2-(2,2,2-trifluoroethoxy)ethylamino]-1,3-thiazole-4-carboxylate
CID 64270867
5-(3,3,3-Trifluoropropylamino)-1,3-thiazole-4-carboxylic acid
CID 64630086

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(ethylamino)-1,3-thiazole-4-carboxylic acid (CID 64631696) is 5-(ethylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(ethylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(ethylamino)-1,3-thiazole-4-carboxylic acid is CCNc1scnc1C(=O)O.
What is the InChIKey of 5-(ethylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is UBTQZDUPIHEWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-2-7-5-4(6(9)10)8-3-11-5/h3,7H,2H2,1H3,(H,9,10).
What are the key properties of 5-(ethylamino)-1,3-thiazole-4-carboxylic acid?
5-(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 5-(ethylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64631696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).