methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoate

C14H19N3O3S — CID 60692000

IUPACmethyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H19N3O3S/c1-9(2)6-11(13(19)20-3)15-8-10-7-12(18)17-4-5-21-14(17)16-10/h4-5,7,9,11,15H,6,8H2,1-3H3
InChIKeyGBOHCAOJWOYMAI-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.43
Rot. Bonds6

About methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoate

methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoate (PubChem CID 60692000) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoate
PubChem CID60692000
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Namemethyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H19N3O3S/c1-9(2)6-11(13(19)20-3)15-8-10-7-12(18)17-4-5-21-14(17)16-10/h4-5,7,9,11,15H,6,8H2,1-3H3
InChIKeyGBOHCAOJWOYMAI-UHFFFAOYSA-N
XLogP1.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoate with MolForge

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Related Compounds

methyl (2S)-4-methyl-2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]pentanoate
CID 135764211
methyl N-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}leucinate
CID 135414747
methyl (2S)-4-methyl-2-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]pentanoate
CID 8223123
methyl (2R)-4-methyl-2-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]pentanoate
CID 8223135
Methyl 2-[[2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetyl]amino]-4-methylpentanoate
CID 19574848
3-Methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid
CID 43468424
2-Methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid
CID 43619713
2-Methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid
CID 43619871
2-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid
CID 43631798
2-[(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid
CID 43632042
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-acetamido-3-methylbutanoate
CID 51109431
Methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoate
CID 51255350

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoate (CID 60692000) is methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoate is COC(=O)C(CC(C)C)NCc1cc(=O)n2ccsc2n1.
What is the InChIKey of methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoate?
The InChIKey is GBOHCAOJWOYMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9(2)6-11(13(19)20-3)15-8-10-7-12(18)17-4-5-21-14(17)16-10/h4-5,7,9,11,15H,6,8H2,1-3H3.
What are the key properties of methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoate?
methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoate has a molecular weight of 309.39 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoate is sourced from PubChem (CID 60692000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).