4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid

C11H19N3O3S — CID 103249706

IUPAC4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
SMILESCOCCN(C)CCNCc1csc(C(=O)O)n1
InChIInChI=1S/C11H19N3O3S/c1-14(5-6-17-2)4-3-12-7-9-8-18-10(13-9)11(15)16/h8,12H,3-7H2,1-2H3,(H,15,16)
InChIKeySMVZHNWPMFQFLX-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.51
Rot. Bonds9

About 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid

4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 103249706) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID103249706
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
SMILESCOCCN(C)CCNCc1csc(C(=O)O)n1
InChIInChI=1S/C11H19N3O3S/c1-14(5-6-17-2)4-3-12-7-9-8-18-10(13-9)11(15)16/h8,12H,3-7H2,1-2H3,(H,15,16)
InChIKeySMVZHNWPMFQFLX-UHFFFAOYSA-N
XLogP0.51
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(2-methoxyethoxy)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103243896
4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103249352
4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63577145
4-[(2-propan-2-yloxyethylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103266532
4-[[(3-methoxy-2-methylpropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103245634
4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103237562
4-[(4-propan-2-yloxybutylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 106004066
4-[(2-methylsulfinylethylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103266185
4-[(pent-3-ynylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103266588
N'-(2-methoxyethyl)-N'-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 78992604
5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid
CID 103249681
4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103250366

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid (CID 103249706) is 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid is COCCN(C)CCNCc1csc(C(=O)O)n1.
What is the InChIKey of 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is SMVZHNWPMFQFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-14(5-6-17-2)4-3-12-7-9-8-18-10(13-9)11(15)16/h8,12H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid?
4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 273.36 g/mol, XLogP of 0.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 103249706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).