3-methyl-1,2-thiazole-5-carboxylate;triethylazanium

C11H20N2O2S — CID 139604222

IUPAC3-methyl-1,2-thiazole-5-carboxylate;triethylazanium
SMILESCC[NH+](CC)CC.Cc1cc(C(=O)[O-])sn1
InChIInChI=1S/C6H15N.C5H5NO2S/c1-4-7(5-2)6-3;1-3-2-4(5(7)8)9-6-3/h4-6H2,1-3H3;2H,1H3,(H,7,8)
InChIKeyGQFVLNZNPZTLKM-UHFFFAOYSA-N
MW244.36 g/mol
LogP-0.25
Rot. Bonds4

About 3-methyl-1,2-thiazole-5-carboxylate;triethylazanium

3-methyl-1,2-thiazole-5-carboxylate;triethylazanium (PubChem CID 139604222) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-methyl-1,2-thiazole-5-carboxylate;triethylazanium.

Molecular Properties

Compound Name3-methyl-1,2-thiazole-5-carboxylate;triethylazanium
PubChem CID139604222
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name3-methyl-1,2-thiazole-5-carboxylate;triethylazanium
SMILESCC[NH+](CC)CC.Cc1cc(C(=O)[O-])sn1
InChIInChI=1S/C6H15N.C5H5NO2S/c1-4-7(5-2)6-3;1-3-2-4(5(7)8)9-6-3/h4-6H2,1-3H3;2H,1H3,(H,7,8)
InChIKeyGQFVLNZNPZTLKM-UHFFFAOYSA-N
XLogP-0.25
TPSA57.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Isopropylammonium 3-methyl-5-isothiazolecarboxylate
CID 19738253
Methyl 3-(aminomethyl)-1,2-thiazole-5-carboxylate
CID 131543221
3-Methyl-1,2-thiazole-5-carboxylic acid;propan-2-amine
CID 173358481
3-[(Cyclopropylamino)methyl]-1,2-thiazole-5-carboxylic acid
CID 117215826
3-[(Cyclobutylamino)methyl]-1,2-thiazole-5-carboxylic acid
CID 117215827
3-[(Cyclopentylamino)methyl]-1,2-thiazole-5-carboxylic acid
CID 117215828
3-(Methylaminomethyl)-1,2-thiazole-5-carboxylic acid
CID 117215829
3-(Piperazin-1-ylmethyl)-1,2-thiazole-5-carboxylic acid
CID 117215834
3-(Ethylaminomethyl)-1,2-thiazole-5-carboxylic acid
CID 117215864
3-[(Propan-2-ylamino)methyl]-1,2-thiazole-5-carboxylic acid
CID 117215867

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-thiazole-5-carboxylate;triethylazanium?
The IUPAC name of 3-methyl-1,2-thiazole-5-carboxylate;triethylazanium (CID 139604222) is 3-methyl-1,2-thiazole-5-carboxylate;triethylazanium.
What is the SMILES notation for 3-methyl-1,2-thiazole-5-carboxylate;triethylazanium?
The canonical SMILES for 3-methyl-1,2-thiazole-5-carboxylate;triethylazanium is CC[NH+](CC)CC.Cc1cc(C(=O)[O-])sn1.
What is the InChIKey of 3-methyl-1,2-thiazole-5-carboxylate;triethylazanium?
The InChIKey is GQFVLNZNPZTLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C5H5NO2S/c1-4-7(5-2)6-3;1-3-2-4(5(7)8)9-6-3/h4-6H2,1-3H3;2H,1H3,(H,7,8).
What are the key properties of 3-methyl-1,2-thiazole-5-carboxylate;triethylazanium?
3-methyl-1,2-thiazole-5-carboxylate;triethylazanium has a molecular weight of 244.36 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-thiazole-5-carboxylate;triethylazanium is sourced from PubChem (CID 139604222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).