2-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-4-methyl-1,3-thiazole-5-carboxylate

C10H16N2O3S — CID 39160862

IUPAC2-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCC[NH+](CCO)Cc1nc(C)c(C(=O)[O-])s1
InChIInChI=1S/C10H16N2O3S/c1-3-12(4-5-13)6-8-11-7(2)9(16-8)10(14)15/h13H,3-6H2,1-2H3,(H,14,15)
InChIKeyZCBGEVLQRJNDMR-UHFFFAOYSA-N
MW244.32 g/mol
LogP-1.79
Rot. Bonds6

About 2-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-4-methyl-1,3-thiazole-5-carboxylate

2-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 39160862) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID39160862
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCC[NH+](CCO)Cc1nc(C)c(C(=O)[O-])s1
InChIInChI=1S/C10H16N2O3S/c1-3-12(4-5-13)6-8-11-7(2)9(16-8)10(14)15/h13H,3-6H2,1-2H3,(H,14,15)
InChIKeyZCBGEVLQRJNDMR-UHFFFAOYSA-N
XLogP-1.79
TPSA77.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(diethylazaniumyl)ethyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 39161212
2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 39160832
2-(carboxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154755
4-methyl-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-5-carboxylate
CID 9154388
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
2-[4-[[bis(prop-2-enyl)azaniumyl]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 39161100
2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628145
2-[2-(dipropylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39161161
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63627993
2-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 103499639

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-4-methyl-1,3-thiazole-5-carboxylate (CID 39160862) is 2-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-4-methyl-1,3-thiazole-5-carboxylate is CC[NH+](CCO)Cc1nc(C)c(C(=O)[O-])s1.
What is the InChIKey of 2-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ZCBGEVLQRJNDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-12(4-5-13)6-8-11-7(2)9(16-8)10(14)15/h13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-4-methyl-1,3-thiazole-5-carboxylate?
2-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 244.32 g/mol, XLogP of -1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-hydroxyethyl)azaniumyl]methyl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 39160862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).