4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid

C6H8N2O2S — CID 83529575

IUPAC4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N)c(C(=O)O)s1
InChIInChI=1S/C6H8N2O2S/c1-2-3-8-5(7)4(11-3)6(9)10/h2,7H2,1H3,(H,9,10)
InChIKeyVYQZTDICGSIPNM-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.99
Rot. Bonds2

About 4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid

4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 83529575) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID83529575
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N)c(C(=O)O)s1
InChIInChI=1S/C6H8N2O2S/c1-2-3-8-5(7)4(11-3)6(9)10/h2,7H2,1H3,(H,9,10)
InChIKeyVYQZTDICGSIPNM-UHFFFAOYSA-N
XLogP0.99
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminophenyl)-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 82226903
2-ethyl-4-methyl-1,3-thiazole-5-carboxylic acid;2-methylprop-2-enenitrile
CID 144751400
2-ethyl-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226862
4-(5-chlorothiophen-2-yl)-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 82306715
2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
CID 69484863
2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 82226860
2-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95478146
2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82225421
4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 69484910
4-ethyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboxylic acid
CID 104838393
5-amino-2-ethyl-1,3-thiazole-4-carboxamide;benzene;chloromethane
CID 143930435
4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid
CID 19885472

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid (CID 83529575) is 4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid is CCc1nc(N)c(C(=O)O)s1.
What is the InChIKey of 4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is VYQZTDICGSIPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-2-3-8-5(7)4(11-3)6(9)10/h2,7H2,1H3,(H,9,10).
What are the key properties of 4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid?
4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 172.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 83529575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).