ethyl 3-[2-(1-pyridin-4-ylethylamino)-1,3-thiazol-4-yl]propanoate

C15H19N3O2S — CID 103486235

IUPACethyl 3-[2-(1-pyridin-4-ylethylamino)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(NC(C)c2ccncc2)n1
InChIInChI=1S/C15H19N3O2S/c1-3-20-14(19)5-4-13-10-21-15(18-13)17-11(2)12-6-8-16-9-7-12/h6-11H,3-5H2,1-2H3,(H,17,18)
InChIKeyRIHOOSIGSIEIGZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.21
Rot. Bonds7

About ethyl 3-[2-(1-pyridin-4-ylethylamino)-1,3-thiazol-4-yl]propanoate

ethyl 3-[2-(1-pyridin-4-ylethylamino)-1,3-thiazol-4-yl]propanoate (PubChem CID 103486235) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is ethyl 3-[2-(1-pyridin-4-ylethylamino)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(1-pyridin-4-ylethylamino)-1,3-thiazol-4-yl]propanoate
PubChem CID103486235
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Nameethyl 3-[2-(1-pyridin-4-ylethylamino)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(NC(C)c2ccncc2)n1
InChIInChI=1S/C15H19N3O2S/c1-3-20-14(19)5-4-13-10-21-15(18-13)17-11(2)12-6-8-16-9-7-12/h6-11H,3-5H2,1-2H3,(H,17,18)
InChIKeyRIHOOSIGSIEIGZ-UHFFFAOYSA-N
XLogP3.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate
CID 103486713
ethyl 3-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485969
ethyl 3-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486363
3-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486836
ethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103486583
ethyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 103486000
ethyl 3-[2-(1H-pyrazol-4-ylamino)-1,3-thiazol-4-yl]propanoate
CID 103486266
methyl 3-[2-[(1-amino-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040035
methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate
CID 107039879
ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate
CID 103487938
ethyl 2-[2-(4-methylpentan-2-ylamino)-1,3-thiazol-4-yl]acetate
CID 80574798
ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate
CID 103485947

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(1-pyridin-4-ylethylamino)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-(1-pyridin-4-ylethylamino)-1,3-thiazol-4-yl]propanoate (CID 103486235) is ethyl 3-[2-(1-pyridin-4-ylethylamino)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(1-pyridin-4-ylethylamino)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(1-pyridin-4-ylethylamino)-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(NC(C)c2ccncc2)n1.
What is the InChIKey of ethyl 3-[2-(1-pyridin-4-ylethylamino)-1,3-thiazol-4-yl]propanoate?
The InChIKey is RIHOOSIGSIEIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-20-14(19)5-4-13-10-21-15(18-13)17-11(2)12-6-8-16-9-7-12/h6-11H,3-5H2,1-2H3,(H,17,18).
What are the key properties of ethyl 3-[2-(1-pyridin-4-ylethylamino)-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-(1-pyridin-4-ylethylamino)-1,3-thiazol-4-yl]propanoate has a molecular weight of 305.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(1-pyridin-4-ylethylamino)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103486235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).