ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate

C13H18N4O2S — CID 103488356

IUPACethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(NCc2ccn(C)n2)n1
InChIInChI=1S/C13H18N4O2S/c1-3-19-12(18)5-4-11-9-20-13(15-11)14-8-10-6-7-17(2)16-10/h6-7,9H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyZAMOXKYAUVMRHF-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.98
Rot. Bonds7

About ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate

ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate (PubChem CID 103488356) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate
PubChem CID103488356
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Nameethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(NCc2ccn(C)n2)n1
InChIInChI=1S/C13H18N4O2S/c1-3-19-12(18)5-4-11-9-20-13(15-11)14-8-10-6-7-17(2)16-10/h6-7,9H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyZAMOXKYAUVMRHF-UHFFFAOYSA-N
XLogP1.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
ethyl 3-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485969
ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 103485900
4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 82873661
ethyl 3-[2-[(3-chlorophenyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103487308
ethyl 3-[2-[2-(1-methylpyrazol-4-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 103488217
ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate
CID 103487938
ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103488583
ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485371
ethyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 103486000
ethyl 3-[2-(2-ethylhexylamino)-1,3-thiazol-4-yl]propanoate
CID 107818852

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate (CID 103488356) is ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(NCc2ccn(C)n2)n1.
What is the InChIKey of ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate?
The InChIKey is ZAMOXKYAUVMRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-19-12(18)5-4-11-9-20-13(15-11)14-8-10-6-7-17(2)16-10/h6-7,9H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate has a molecular weight of 294.38 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103488356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).