(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C16H21N3O5S — CID 46609971

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCc1csc2nc(COC(=O)CCNC(=O)OC(C)(C)C)cc(=O)n12
InChIInChI=1S/C16H21N3O5S/c1-10-9-25-14-18-11(7-12(20)19(10)14)8-23-13(21)5-6-17-15(22)24-16(2,3)4/h7,9H,5-6,8H2,1-4H3,(H,17,22)
InChIKeyVJTJUINZDHVSQR-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.02
Rot. Bonds5

About (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 46609971) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID46609971
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCc1csc2nc(COC(=O)CCNC(=O)OC(C)(C)C)cc(=O)n12
InChIInChI=1S/C16H21N3O5S/c1-10-9-25-14-18-11(7-12(20)19(10)14)8-23-13(21)5-6-17-15(22)24-16(2,3)4/h7,9H,5-6,8H2,1-4H3,(H,17,22)
InChIKeyVJTJUINZDHVSQR-UHFFFAOYSA-N
XLogP2.02
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.02
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 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 46609971) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is Cc1csc2nc(COC(=O)CCNC(=O)OC(C)(C)C)cc(=O)n12.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is VJTJUINZDHVSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-10-9-25-14-18-11(7-12(20)19(10)14)8-23-13(21)5-6-17-15(22)24-16(2,3)4/h7,9H,5-6,8H2,1-4H3,(H,17,22).
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 367.43 g/mol, XLogP of 2.02, 5 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 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 46609971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).