cis-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate

C13H14N2O3S — CID 7778035

IUPACcis-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate
SMILESCc1csc2nc(COC(=O)[C@H]3C[C@H]3C)cc(=O)n12
InChIInChI=1S/C13H14N2O3S/c1-7-3-10(7)12(17)18-5-9-4-11(16)15-8(2)6-19-13(15)14-9/h4,6-7,10H,3,5H2,1-2H3/t7-,10+/m1/s1
InChIKeyNNPFXQQWMUAGFS-XCBNKYQSSA-N
MW278.33 g/mol
LogP1.76
Rot. Bonds3

About cis-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate

cis-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate (PubChem CID 7778035) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is cis-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate
PubChem CID7778035
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Namecis-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate
SMILESCc1csc2nc(COC(=O)[C@H]3C[C@H]3C)cc(=O)n12
InChIInChI=1S/C13H14N2O3S/c1-7-3-10(7)12(17)18-5-9-4-11(16)15-8(2)6-19-13(15)14-9/h4,6-7,10H,3,5H2,1-2H3/t7-,10+/m1/s1
InChIKeyNNPFXQQWMUAGFS-XCBNKYQSSA-N
XLogP1.76
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of cis-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate (CID 7778035) is cis-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for cis-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate is Cc1csc2nc(COC(=O)[C@H]3C[C@H]3C)cc(=O)n12.
What is the InChIKey of cis-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate?
The InChIKey is NNPFXQQWMUAGFS-XCBNKYQSSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-7-3-10(7)12(17)18-5-9-4-11(16)15-8(2)6-19-13(15)14-9/h4,6-7,10H,3,5H2,1-2H3/t7-,10+/m1/s1.
What are the key properties of cis-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate?
cis-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate has a molecular weight of 278.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 7778035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).