N,N-diethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide

C16H18N4O4S2 — CID 7252290

IUPACN,N-diethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cc(=O)n3ccsc3n2)c1
InChIInChI=1S/C16H18N4O4S2/c1-3-19(4-2)26(23,24)13-5-6-14(21)18(11-13)10-12-9-15(22)20-7-8-25-16(20)17-12/h5-9,11H,3-4,10H2,1-2H3
InChIKeyDKZDBPJVRIMZKA-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.00
Rot. Bonds6

About N,N-diethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide

N,N-diethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide (PubChem CID 7252290) has the molecular formula C16H18N4O4S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N,N-diethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide
PubChem CID7252290
Molecular FormulaC16H18N4O4S2
Molecular Weight394.48 g/mol
Exact Mass394.08
IUPAC NameN,N-diethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cc(=O)n3ccsc3n2)c1
InChIInChI=1S/C16H18N4O4S2/c1-3-19(4-2)26(23,24)13-5-6-14(21)18(11-13)10-12-9-15(22)20-7-8-25-16(20)17-12/h5-9,11H,3-4,10H2,1-2H3
InChIKeyDKZDBPJVRIMZKA-UHFFFAOYSA-N
XLogP1.00
TPSA93.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide (CID 7252290) is N,N-diethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cc(=O)n3ccsc3n2)c1.
What is the InChIKey of N,N-diethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is DKZDBPJVRIMZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S2/c1-3-19(4-2)26(23,24)13-5-6-14(21)18(11-13)10-12-9-15(22)20-7-8-25-16(20)17-12/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of N,N-diethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide?
N,N-diethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 394.48 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 7252290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).