2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid

C9H14N2O3S — CID 80571694

IUPAC2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid
SMILESCCOCCCNc1ncc(C(=O)O)s1
InChIInChI=1S/C9H14N2O3S/c1-2-14-5-3-4-10-9-11-6-7(15-9)8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyMNPMDHWNOYJIBX-UHFFFAOYSA-N
MW230.29 g/mol
LogP1.68
Rot. Bonds7

About 2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid

2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 80571694) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID80571694
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid
SMILESCCOCCCNc1ncc(C(=O)O)s1
InChIInChI=1S/C9H14N2O3S/c1-2-14-5-3-4-10-9-11-6-7(15-9)8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyMNPMDHWNOYJIBX-UHFFFAOYSA-N
XLogP1.68
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(octylamino)-1,3-thiazole-5-carboxylic acid
CID 115565235
2-(4-propan-2-yloxybutylamino)-1,3-thiazole-5-carboxylic acid
CID 106006404
2-[4-[methyl(propan-2-yl)amino]butylamino]-1,3-thiazole-5-carboxylic acid
CID 80571247
2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid
CID 130569064
2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 106006443
methyl 2-(octylamino)-1,3-thiazole-5-carboxylate
CID 113336783
2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423281
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-1,3-thiazole-5-carboxylic acid
CID 87648198
2-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1,3-thiazole-5-carboxylic acid
CID 80571471
2-(2-methylprop-2-enylamino)-1,3-thiazole-5-carboxylic acid
CID 130569093
2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid
CID 80571798
methyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 80571434

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid (CID 80571694) is 2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid is CCOCCCNc1ncc(C(=O)O)s1.
What is the InChIKey of 2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is MNPMDHWNOYJIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-2-14-5-3-4-10-9-11-6-7(15-9)8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid?
2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 230.29 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80571694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).