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

C11H18N2O4S — CID 80568985

IUPAC2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCOCCCN(CCOC)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H18N2O4S/c1-16-6-3-4-13(5-7-17-2)11-12-9(8-18-11)10(14)15/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyIIWOEHBAVHYAJY-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.33
Rot. Bonds9

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

2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 80568985) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID80568985
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCOCCCN(CCOC)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H18N2O4S/c1-16-6-3-4-13(5-7-17-2)11-12-9(8-18-11)10(14)15/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyIIWOEHBAVHYAJY-UHFFFAOYSA-N
XLogP1.33
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[bis(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64543850
1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544241
2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696799
2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569265
6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 55140872
2-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697449
2-[[bis(2-methoxyethyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380743
3-[2-[2-cyanoethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103487617
5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 113321599
4-(1-aminoethyl)-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine
CID 64542950
1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64543634
3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63286373

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid (CID 80568985) is 2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid is COCCCN(CCOC)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is IIWOEHBAVHYAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-16-6-3-4-13(5-7-17-2)11-12-9(8-18-11)10(14)15/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid?
2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 274.34 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80568985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).