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

C14H14N4O4S2 — CID 7828882

IUPACN,N-dimethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(Cc2cc(=O)n3ccsc3n2)c1
InChIInChI=1S/C14H14N4O4S2/c1-16(2)24(21,22)11-3-4-12(19)17(9-11)8-10-7-13(20)18-5-6-23-14(18)15-10/h3-7,9H,8H2,1-2H3
InChIKeyHEDFYJRZGJWOEL-UHFFFAOYSA-N
MW366.42 g/mol
LogP0.22
Rot. Bonds4

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

N,N-dimethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide (PubChem CID 7828882) has the molecular formula C14H14N4O4S2 and a molecular weight of 366.42 g/mol. Its IUPAC name is N,N-dimethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide
PubChem CID7828882
Molecular FormulaC14H14N4O4S2
Molecular Weight366.42 g/mol
Exact Mass366.05
IUPAC NameN,N-dimethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(Cc2cc(=O)n3ccsc3n2)c1
InChIInChI=1S/C14H14N4O4S2/c1-16(2)24(21,22)11-3-4-12(19)17(9-11)8-10-7-13(20)18-5-6-23-14(18)15-10/h3-7,9H,8H2,1-2H3
InChIKeyHEDFYJRZGJWOEL-UHFFFAOYSA-N
XLogP0.22
TPSA93.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide (CID 7828882) is N,N-dimethyl-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-dimethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(=O)n(Cc2cc(=O)n3ccsc3n2)c1.
What is the InChIKey of N,N-dimethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is HEDFYJRZGJWOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S2/c1-16(2)24(21,22)11-3-4-12(19)17(9-11)8-10-7-13(20)18-5-6-23-14(18)15-10/h3-7,9H,8H2,1-2H3.
What are the key properties of N,N-dimethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide?
N,N-dimethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 366.42 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 7828882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).