ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate

C14H25N3O2S — CID 103485900

IUPACethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(NCCN(CC)CC)n1
InChIInChI=1S/C14H25N3O2S/c1-4-17(5-2)10-9-15-14-16-12(11-20-14)7-8-13(18)19-6-3/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyCTGZAKALQGXXHF-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.39
Rot. Bonds10

About ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate

ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate (PubChem CID 103485900) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate
PubChem CID103485900
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Nameethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(NCCN(CC)CC)n1
InChIInChI=1S/C14H25N3O2S/c1-4-17(5-2)10-9-15-14-16-12(11-20-14)7-8-13(18)19-6-3/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyCTGZAKALQGXXHF-UHFFFAOYSA-N
XLogP2.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485969
ethyl 3-[2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 106106701
ethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 103488214
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine
CID 84761941
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
ethyl 2-[2-[2-(dimethylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78912318
ethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103486583
ethyl 3-[2-[2-(1-methylpyrazol-4-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 103488217
ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103488583
ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103488356
ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate
CID 103487938
ethyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 103486000

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate (CID 103485900) is ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(NCCN(CC)CC)n1.
What is the InChIKey of ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate?
The InChIKey is CTGZAKALQGXXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-17(5-2)10-9-15-14-16-12(11-20-14)7-8-13(18)19-6-3/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate has a molecular weight of 299.44 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103485900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).