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

C6H8N2O2S — CID 23436450

IUPAC2-amino-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N)sc1C(=O)O
InChIInChI=1S/C6H8N2O2S/c1-2-3-4(5(9)10)11-6(7)8-3/h2H2,1H3,(H2,7,8)(H,9,10)
InChIKeyOHUPJQLYQCVDHP-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.99
Rot. Bonds2

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

2-amino-4-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 23436450) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-amino-4-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID23436450
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name2-amino-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N)sc1C(=O)O
InChIInChI=1S/C6H8N2O2S/c1-2-3-4(5(9)10)11-6(7)8-3/h2H2,1H3,(H2,7,8)(H,9,10)
InChIKeyOHUPJQLYQCVDHP-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

Ethyl 2-amino-4-(propan-2-yl)-1,3-thiazole-5-carboxylate
CID 824436
Ethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate
CID 824437
Ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate
CID 824452
2-Amino-4-methyl-thiazole-5-carboxylic acid
CID 832243
Methyl 2-amino-4-(tert-butyl)thiazole-5-carboxylate
CID 1488168
Ethyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate
CID 12801682
4-Methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 742073
Methyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate
CID 735005
4-Ethyl-2-methyl-1,3-thiazole-5-carboxylic acid
CID 14648765
2-Amino-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 18323129
5-Thiazolecarboxylic acid, 2-bromo-4-ethyl-
CID 22411065
Methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
CID 32639824

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-amino-4-ethyl-1,3-thiazole-5-carboxylic acid (CID 23436450) is 2-amino-4-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-amino-4-ethyl-1,3-thiazole-5-carboxylic acid is CCc1nc(N)sc1C(=O)O.
What is the InChIKey of 2-amino-4-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is OHUPJQLYQCVDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-2-3-4(5(9)10)11-6(7)8-3/h2H2,1H3,(H2,7,8)(H,9,10).
What are the key properties of 2-amino-4-ethyl-1,3-thiazole-5-carboxylic acid?
2-amino-4-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 2-amino-4-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 23436450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).