(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate

C18H15N3O5S — CID 51642203

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate
SMILESCc1csc2nc(COC(=O)C[C@H]3Oc4ccccc4NC3=O)cc(=O)n12
InChIInChI=1S/C18H15N3O5S/c1-10-9-27-18-19-11(6-15(22)21(10)18)8-25-16(23)7-14-17(24)20-12-4-2-3-5-13(12)26-14/h2-6,9,14H,7-8H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyGEFFSCCGGGQIKG-CQSZACIVSA-N
MW385.40 g/mol
LogP1.90
Rot. Bonds4

About (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate (PubChem CID 51642203) has the molecular formula C18H15N3O5S and a molecular weight of 385.40 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate
PubChem CID51642203
Molecular FormulaC18H15N3O5S
Molecular Weight385.40 g/mol
Exact Mass385.07
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate
SMILESCc1csc2nc(COC(=O)C[C@H]3Oc4ccccc4NC3=O)cc(=O)n12
InChIInChI=1S/C18H15N3O5S/c1-10-9-27-18-19-11(6-15(22)21(10)18)8-25-16(23)7-14-17(24)20-12-4-2-3-5-13(12)26-14/h2-6,9,14H,7-8H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyGEFFSCCGGGQIKG-CQSZACIVSA-N
XLogP1.90
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate (CID 51642203) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate is Cc1csc2nc(COC(=O)C[C@H]3Oc4ccccc4NC3=O)cc(=O)n12.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate?
The InChIKey is GEFFSCCGGGQIKG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H15N3O5S/c1-10-9-27-18-19-11(6-15(22)21(10)18)8-25-16(23)7-14-17(24)20-12-4-2-3-5-13(12)26-14/h2-6,9,14H,7-8H2,1H3,(H,20,24)/t14-/m1/s1.
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate has a molecular weight of 385.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate is sourced from PubChem (CID 51642203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).