2-[1-(methylamino)ethyl]-1,3-thiazole-5-carboxylic acid

C7H10N2O2S — CID 105442103

IUPAC2-[1-(methylamino)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCNC(C)c1ncc(C(=O)O)s1
InChIInChI=1S/C7H10N2O2S/c1-4(8-2)6-9-3-5(12-6)7(10)11/h3-4,8H,1-2H3,(H,10,11)
InChIKeyHLRFRGANIBXGDR-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.12
Rot. Bonds3

About 2-[1-(methylamino)ethyl]-1,3-thiazole-5-carboxylic acid

2-[1-(methylamino)ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 105442103) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-[1-(methylamino)ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-(methylamino)ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID105442103
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-[1-(methylamino)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCNC(C)c1ncc(C(=O)O)s1
InChIInChI=1S/C7H10N2O2S/c1-4(8-2)6-9-3-5(12-6)7(10)11/h3-4,8H,1-2H3,(H,10,11)
InChIKeyHLRFRGANIBXGDR-UHFFFAOYSA-N
XLogP1.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tizoprolic Acid
CID 65773
5-Thiazolecarboxylic acid, 2-methyl-
CID 98845
5-Thiazolecarboxylic acid, 2-ethyl-
CID 207755
2-(1,1-Dimethylethyl)-5-thiazolecarboxylic acid
CID 19885529
2-(Propan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 19786342
2-Cyano-1,3-thiazole-5-carboxylic acid
CID 53399539
Methyl 2-(1-aminoethyl)-1,3-thiazole-5-carboxylate hydrochloride
CID 67394894
Methyl 2-(2-aminoethyl)-1,3-thiazole-5-carboxylate hydrochloride
CID 67394911
2-(1-{[(Tert-butoxy)carbonyl]amino}ethyl)-1,3-thiazole-5-carboxylic acid
CID 67396009
2-((((Tert-butoxy)carbonyl)amino)methyl)-1,3-thiazole-5-carboxylic acid
CID 73425357
2-(2,2-Dimethylpropyl)-1,3-thiazole-5-carboxylic acid
CID 63889997
2-(1-Aminoethyl)-1,3-thiazole-5-carboxylic acid hydrochloride
CID 121539863

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[1-(methylamino)ethyl]-1,3-thiazole-5-carboxylic acid (CID 105442103) is 2-[1-(methylamino)ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-(methylamino)ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[1-(methylamino)ethyl]-1,3-thiazole-5-carboxylic acid is CNC(C)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-[1-(methylamino)ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is HLRFRGANIBXGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-4(8-2)6-9-3-5(12-6)7(10)11/h3-4,8H,1-2H3,(H,10,11).
What are the key properties of 2-[1-(methylamino)ethyl]-1,3-thiazole-5-carboxylic acid?
2-[1-(methylamino)ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 186.24 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 105442103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).