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

C18H20N4O4S2 — CID 15990080

IUPAC3,7-dimethyl-N-(4-morpholin-4-ylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H20N4O4S2/c1-12-11-27-18-19-13(2)16(17(23)22(12)18)28(24,25)20-14-3-5-15(6-4-14)21-7-9-26-10-8-21/h3-6,11,20H,7-10H2,1-2H3
InChIKeyJUUWNIIXPHIWON-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.01
Rot. Bonds4

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

3,7-dimethyl-N-(4-morpholin-4-ylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 15990080) has the molecular formula C18H20N4O4S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 3,7-dimethyl-N-(4-morpholin-4-ylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name3,7-dimethyl-N-(4-morpholin-4-ylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID15990080
Molecular FormulaC18H20N4O4S2
Molecular Weight420.52 g/mol
Exact Mass420.09
IUPAC Name3,7-dimethyl-N-(4-morpholin-4-ylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H20N4O4S2/c1-12-11-27-18-19-13(2)16(17(23)22(12)18)28(24,25)20-14-3-5-15(6-4-14)21-7-9-26-10-8-21/h3-6,11,20H,7-10H2,1-2H3
InChIKeyJUUWNIIXPHIWON-UHFFFAOYSA-N
XLogP2.01
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-(4-morpholin-4-ylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of 3,7-dimethyl-N-(4-morpholin-4-ylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 15990080) is 3,7-dimethyl-N-(4-morpholin-4-ylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for 3,7-dimethyl-N-(4-morpholin-4-ylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for 3,7-dimethyl-N-(4-morpholin-4-ylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3,7-dimethyl-N-(4-morpholin-4-ylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is JUUWNIIXPHIWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S2/c1-12-11-27-18-19-13(2)16(17(23)22(12)18)28(24,25)20-14-3-5-15(6-4-14)21-7-9-26-10-8-21/h3-6,11,20H,7-10H2,1-2H3.
What are the key properties of 3,7-dimethyl-N-(4-morpholin-4-ylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
3,7-dimethyl-N-(4-morpholin-4-ylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 420.52 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-(4-morpholin-4-ylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 15990080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).