7-hydroxy-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H16N4O4S — CID 135853336

IUPAC7-hydroxy-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCN1CCOCC1)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C13H16N4O4S/c18-10(14-1-2-16-3-6-21-7-4-16)9-11(19)15-13-17(12(9)20)5-8-22-13/h5,8,19H,1-4,6-7H2,(H,14,18)
InChIKeyMWJRQBKFTJEVQS-UHFFFAOYSA-N
MW324.36 g/mol
LogP-0.48
Rot. Bonds4

About 7-hydroxy-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-hydroxy-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853336) has the molecular formula C13H16N4O4S and a molecular weight of 324.36 g/mol. Its IUPAC name is 7-hydroxy-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853336
Molecular FormulaC13H16N4O4S
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC Name7-hydroxy-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCN1CCOCC1)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C13H16N4O4S/c18-10(14-1-2-16-3-6-21-7-4-16)9-11(19)15-13-17(12(9)20)5-8-22-13/h5,8,19H,1-4,6-7H2,(H,14,18)
InChIKeyMWJRQBKFTJEVQS-UHFFFAOYSA-N
XLogP-0.48
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-hydroxy-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853336) is 7-hydroxy-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-hydroxy-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCN1CCOCC1)c1c(O)nc2sccn2c1=O.
What is the InChIKey of 7-hydroxy-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is MWJRQBKFTJEVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S/c18-10(14-1-2-16-3-6-21-7-4-16)9-11(19)15-13-17(12(9)20)5-8-22-13/h5,8,19H,1-4,6-7H2,(H,14,18).
What are the key properties of 7-hydroxy-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-hydroxy-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 324.36 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).