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

C13H18N4O4S2 — CID 23004558

IUPAC7-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C13H18N4O4S2/c1-10-11(12(18)17-6-9-22-13(17)15-10)23(19,20)14-2-3-16-4-7-21-8-5-16/h6,9,14H,2-5,7-8H2,1H3
InChIKeyCHTDWDUTVGOQOR-UHFFFAOYSA-N
MW358.45 g/mol
LogP-0.33
Rot. Bonds5

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

7-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 23004558) has the molecular formula C13H18N4O4S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 7-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name7-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID23004558
Molecular FormulaC13H18N4O4S2
Molecular Weight358.45 g/mol
Exact Mass358.08
IUPAC Name7-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C13H18N4O4S2/c1-10-11(12(18)17-6-9-22-13(17)15-10)23(19,20)14-2-3-16-4-7-21-8-5-16/h6,9,14H,2-5,7-8H2,1H3
InChIKeyCHTDWDUTVGOQOR-UHFFFAOYSA-N
XLogP-0.33
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of 7-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 23004558) is 7-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for 7-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for 7-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1nc2sccn2c(=O)c1S(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of 7-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is CHTDWDUTVGOQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4S2/c1-10-11(12(18)17-6-9-22-13(17)15-10)23(19,20)14-2-3-16-4-7-21-8-5-16/h6,9,14H,2-5,7-8H2,1H3.
What are the key properties of 7-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
7-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 358.45 g/mol, XLogP of -0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 23004558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).