methyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate

C15H18N2O2S — CID 80574916

IUPACmethyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NCCCc2ccccc2)n1
InChIInChI=1S/C15H18N2O2S/c1-19-14(18)10-13-11-20-15(17-13)16-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,16,17)
InChIKeyWUKQWUCRKOXTCS-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.90
Rot. Bonds7

About methyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 80574916) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is methyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate
PubChem CID80574916
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Namemethyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NCCCc2ccccc2)n1
InChIInChI=1S/C15H18N2O2S/c1-19-14(18)10-13-11-20-15(17-13)16-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,16,17)
InChIKeyWUKQWUCRKOXTCS-UHFFFAOYSA-N
XLogP2.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-[2-(4-methoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78915824
methyl 2-[2-[2-(3-methoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 107856367
methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate
CID 104592481
methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624515
methyl 3-[2-(benzylamino)-1,3-thiazol-4-yl]propanoate
CID 107039874
ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate
CID 80575758
methyl 2-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80576697
methyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 35163203
methyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 83117388
2-[2-[3-(N-methylanilino)propylamino]-1,3-thiazol-4-yl]acetic acid
CID 80573782
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate (CID 80574916) is methyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NCCCc2ccccc2)n1.
What is the InChIKey of methyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is WUKQWUCRKOXTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-19-14(18)10-13-11-20-15(17-13)16-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,16,17).
What are the key properties of methyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 290.39 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).