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

C13H22N2O4S — CID 82069049

IUPAC5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(CN(CCOC)CCOC)s1
InChIInChI=1S/C13H22N2O4S/c1-4-11-14-12(13(16)17)10(20-11)9-15(5-7-18-2)6-8-19-3/h4-9H2,1-3H3,(H,16,17)
InChIKeyITLXLTCFDPQPFQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.50
Rot. Bonds10

About 5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid

5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid (PubChem CID 82069049) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid
PubChem CID82069049
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(CN(CCOC)CCOC)s1
InChIInChI=1S/C13H22N2O4S/c1-4-11-14-12(13(16)17)10(20-11)9-15(5-7-18-2)6-8-19-3/h4-9H2,1-3H3,(H,16,17)
InChIKeyITLXLTCFDPQPFQ-UHFFFAOYSA-N
XLogP1.50
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[bis(prop-2-enyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 82069098
5-[[butyl(methyl)amino]methyl]-2-(2-methoxyethyl)-1,3-thiazole-4-carboxylic acid
CID 82069158
5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 82069110
2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 70211359
2-[5-[(dipropylamino)methyl]-2-ethyl-1,3-thiazol-4-yl]acetic acid
CID 82069200
2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(2-methoxyethyl)amino]ethanol
CID 115882695
2-(2-methoxyethyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 82069166
2-(2-aminoethyl)-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 83531807
2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid
CID 82069250
5-(3,5-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510719
5-amino-2-(3-methoxypropyl)-1,3-thiazole-4-carboxylic acid
CID 103199986
5-acetyl-2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697259

Frequently Asked Questions

What is the IUPAC name of 5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid (CID 82069049) is 5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid is CCc1nc(C(=O)O)c(CN(CCOC)CCOC)s1.
What is the InChIKey of 5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is ITLXLTCFDPQPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-4-11-14-12(13(16)17)10(20-11)9-15(5-7-18-2)6-8-19-3/h4-9H2,1-3H3,(H,16,17).
What are the key properties of 5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid?
5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 302.40 g/mol, XLogP of 1.50, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82069049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).