ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate

C13H22N2O3S — CID 82947003

IUPACethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate
SMILESCCCOCCCNc1nc(CC(=O)OCC)cs1
InChIInChI=1S/C13H22N2O3S/c1-3-7-17-8-5-6-14-13-15-11(10-19-13)9-12(16)18-4-2/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyOBEGIQQWDUONFG-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.48
Rot. Bonds10

About ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 82947003) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate
PubChem CID82947003
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Nameethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate
SMILESCCCOCCCNc1nc(CC(=O)OCC)cs1
InChIInChI=1S/C13H22N2O3S/c1-3-7-17-8-5-6-14-13-15-11(10-19-13)9-12(16)18-4-2/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyOBEGIQQWDUONFG-UHFFFAOYSA-N
XLogP2.48
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.48
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

ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
ethyl 2-[2-(3-methylsulfanylpropylamino)-1,3-thiazol-4-yl]acetate
CID 80576085
ethyl 2-[2-(4-methylpentylamino)-1,3-thiazol-4-yl]acetate
CID 80576900
ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715817
ethyl 2-[2-(3-ethylsulfanylpropylamino)-1,3-thiazol-4-yl]acetate
CID 114248792
methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate
CID 80575758
2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 16642038
ethyl 2-[2-[2-(dimethylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78912318
ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80574669
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326
ethyl 2-[2-[2-(trifluoromethylsulfanyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 114188389

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate (CID 82947003) is ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate is CCCOCCCNc1nc(CC(=O)OCC)cs1.
What is the InChIKey of ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is OBEGIQQWDUONFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-3-7-17-8-5-6-14-13-15-11(10-19-13)9-12(16)18-4-2/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 286.40 g/mol, XLogP of 2.48, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 82947003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).