(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C15H11N5O3S — CID 55990475

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCc1nn2cccnc2c1C(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H11N5O3S/c1-9-12(13-16-3-2-4-20(13)18-9)14(22)23-8-10-7-11(21)19-5-6-24-15(19)17-10/h2-7H,8H2,1H3
InChIKeyXPIWMSDYMSFFPT-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.46
Rot. Bonds3

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 55990475) has the molecular formula C15H11N5O3S and a molecular weight of 341.35 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID55990475
Molecular FormulaC15H11N5O3S
Molecular Weight341.35 g/mol
Exact Mass341.06
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCc1nn2cccnc2c1C(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H11N5O3S/c1-9-12(13-16-3-2-4-20(13)18-9)14(22)23-8-10-7-11(21)19-5-6-24-15(19)17-10/h2-7H,8H2,1H3
InChIKeyXPIWMSDYMSFFPT-UHFFFAOYSA-N
XLogP1.46
TPSA90.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 86846448
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(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 55990475) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate is Cc1nn2cccnc2c1C(=O)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is XPIWMSDYMSFFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O3S/c1-9-12(13-16-3-2-4-20(13)18-9)14(22)23-8-10-7-11(21)19-5-6-24-15(19)17-10/h2-7H,8H2,1H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 341.35 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 55990475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).