methyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate

C19H21N3O3S — CID 94797828

IUPACmethyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CN(Cc1ccccc1)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C19H21N3O3S/c1-14(18(24)25-2)11-21(12-15-6-4-3-5-7-15)13-16-10-17(23)22-8-9-26-19(22)20-16/h3-10,14H,11-13H2,1-2H3/t14-/m1/s1
InChIKeyVUSNPIKLWGEVAP-CQSZACIVSA-N
MW371.46 g/mol
LogP2.57
Rot. Bonds7

About methyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate

methyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate (PubChem CID 94797828) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is methyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate
PubChem CID94797828
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Namemethyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CN(Cc1ccccc1)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C19H21N3O3S/c1-14(18(24)25-2)11-21(12-15-6-4-3-5-7-15)13-16-10-17(23)22-8-9-26-19(22)20-16/h3-10,14H,11-13H2,1-2H3/t14-/m1/s1
InChIKeyVUSNPIKLWGEVAP-CQSZACIVSA-N
XLogP2.57
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate with MolForge

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Related Compounds

7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357933
7-[[2-methoxyethyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357945
7-[[2-aminoethyl(2-phenylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 120871527
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 9491906
2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 63646465
ethyl 2-[(4-methylphenyl)methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate
CID 48559179
7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 62332981
7-[[(4-methoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17458009
3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid
CID 60840671
methyl 3-[benzyl-[(4-fluorophenyl)methyl]amino]-2-methylpropanoate
CID 60612566
benzyl N-[(2S)-3-methyl-1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]butan-2-yl]carbamate
CID 55935031
7-[[[(1R)-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2714007

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate (CID 94797828) is methyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate is COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of methyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate?
The InChIKey is VUSNPIKLWGEVAP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-14(18(24)25-2)11-21(12-15-6-4-3-5-7-15)13-16-10-17(23)22-8-9-26-19(22)20-16/h3-10,14H,11-13H2,1-2H3/t14-/m1/s1.
What are the key properties of methyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate?
methyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate has a molecular weight of 371.46 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate is sourced from PubChem (CID 94797828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).