methyl 2-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate

C12H15N3O4S — CID 4254218

IUPACmethyl 2-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C12H15N3O4S/c1-12(2,10(18)19-3)14-8(16)7-6-13-11-15(9(7)17)4-5-20-11/h6H,4-5H2,1-3H3,(H,14,16)
InChIKeyANTPBEFMLBGYHM-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.03
Rot. Bonds3

About methyl 2-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate

methyl 2-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate (PubChem CID 4254218) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is methyl 2-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate
PubChem CID4254218
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Namemethyl 2-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C12H15N3O4S/c1-12(2,10(18)19-3)14-8(16)7-6-13-11-15(9(7)17)4-5-20-11/h6H,4-5H2,1-3H3,(H,14,16)
InChIKeyANTPBEFMLBGYHM-UHFFFAOYSA-N
XLogP0.03
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate (CID 4254218) is methyl 2-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate is COC(=O)C(C)(C)NC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of methyl 2-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate?
The InChIKey is ANTPBEFMLBGYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-12(2,10(18)19-3)14-8(16)7-6-13-11-15(9(7)17)4-5-20-11/h6H,4-5H2,1-3H3,(H,14,16).
What are the key properties of methyl 2-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate?
methyl 2-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate has a molecular weight of 297.34 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate is sourced from PubChem (CID 4254218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).