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

C8H12N2O2S — CID 96620205

IUPAC3-(diethylamino)-1,2-thiazole-5-carboxylic acid
SMILESCCN(CC)c1cc(C(=O)O)sn1
InChIInChI=1S/C8H12N2O2S/c1-3-10(4-2)7-5-6(8(11)12)13-9-7/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyRGVGYIVWYPGPNF-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.69
Rot. Bonds4

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

3-(diethylamino)-1,2-thiazole-5-carboxylic acid (PubChem CID 96620205) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-(diethylamino)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(diethylamino)-1,2-thiazole-5-carboxylic acid
PubChem CID96620205
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name3-(diethylamino)-1,2-thiazole-5-carboxylic acid
SMILESCCN(CC)c1cc(C(=O)O)sn1
InChIInChI=1S/C8H12N2O2S/c1-3-10(4-2)7-5-6(8(11)12)13-9-7/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyRGVGYIVWYPGPNF-UHFFFAOYSA-N
XLogP1.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-1,2-thiazole-5-carboxylic acid
CID 83480080
3-(methoxymethyl)-1,2-thiazole-5-carboxylic acid
CID 82372956
2-(diethylamino)-6-ethylpyridine-4-carboxylic acid
CID 58418069
5-ethylsulfanylcarbonyl-1,2-thiazole-3-carboxylic acid
CID 117218325
3-sulfanylcarbonyl-1,2-thiazole-5-carboxylic acid
CID 117215251
2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 165493427
2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62754860
6-(diethylamino)-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 67453556
5-ethoxycarbonyl-1,2-thiazole-3-carboxylic acid
CID 117218324
5-bromo-2-(diethylamino)pyridine-3-carboxylic acid
CID 59700072
6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid
CID 82170225
4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244374

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-(diethylamino)-1,2-thiazole-5-carboxylic acid (CID 96620205) is 3-(diethylamino)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(diethylamino)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-(diethylamino)-1,2-thiazole-5-carboxylic acid is CCN(CC)c1cc(C(=O)O)sn1.
What is the InChIKey of 3-(diethylamino)-1,2-thiazole-5-carboxylic acid?
The InChIKey is RGVGYIVWYPGPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-3-10(4-2)7-5-6(8(11)12)13-9-7/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3-(diethylamino)-1,2-thiazole-5-carboxylic acid?
3-(diethylamino)-1,2-thiazole-5-carboxylic acid has a molecular weight of 200.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 96620205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).