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

C15H18N2O2S — CID 104592481

IUPACmethyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NCC(C)c2ccccc2)n1
InChIInChI=1S/C15H18N2O2S/c1-11(12-6-4-3-5-7-12)9-16-15-17-13(10-20-15)8-14(18)19-2/h3-7,10-11H,8-9H2,1-2H3,(H,16,17)
InChIKeyHFMSFLJAKOFSFS-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.07
Rot. Bonds6

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

methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 104592481) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate
PubChem CID104592481
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Namemethyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NCC(C)c2ccccc2)n1
InChIInChI=1S/C15H18N2O2S/c1-11(12-6-4-3-5-7-12)9-16-15-17-13(10-20-15)8-14(18)19-2/h3-7,10-11H,8-9H2,1-2H3,(H,16,17)
InChIKeyHFMSFLJAKOFSFS-UHFFFAOYSA-N
XLogP3.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[[(3S)-3-phenylbutanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 38987354
methyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate
CID 80574203
methyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate
CID 80574916
methyl 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazol-4-yl]acetate
CID 80574678
methyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate
CID 112724647
2-[2-[(2-methoxy-2-phenylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62032289
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate
CID 80574502
methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624515
methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 116744555
methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 112724634
methyl 2-[2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazol-4-yl]acetate
CID 106296025

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate (CID 104592481) is methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NCC(C)c2ccccc2)n1.
What is the InChIKey of methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is HFMSFLJAKOFSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11(12-6-4-3-5-7-12)9-16-15-17-13(10-20-15)8-14(18)19-2/h3-7,10-11H,8-9H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 290.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 104592481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).