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

C15H16N4O4S2 — CID 42928868

IUPACN,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-6-oxopyridine-3-sulfonamide
SMILESCc1csc2nc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)cc(=O)n12
InChIInChI=1S/C15H16N4O4S2/c1-10-9-24-15-16-11(6-14(21)19(10)15)7-18-8-12(4-5-13(18)20)25(22,23)17(2)3/h4-6,8-9H,7H2,1-3H3
InChIKeyBIUKYGPOCUIOED-UHFFFAOYSA-N
MW380.45 g/mol
LogP0.52
Rot. Bonds4

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

N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-6-oxopyridine-3-sulfonamide (PubChem CID 42928868) has the molecular formula C15H16N4O4S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-6-oxopyridine-3-sulfonamide
PubChem CID42928868
Molecular FormulaC15H16N4O4S2
Molecular Weight380.45 g/mol
Exact Mass380.06
IUPAC NameN,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-6-oxopyridine-3-sulfonamide
SMILESCc1csc2nc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)cc(=O)n12
InChIInChI=1S/C15H16N4O4S2/c1-10-9-24-15-16-11(6-14(21)19(10)15)7-18-8-12(4-5-13(18)20)25(22,23)17(2)3/h4-6,8-9H,7H2,1-3H3
InChIKeyBIUKYGPOCUIOED-UHFFFAOYSA-N
XLogP0.52
TPSA93.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-6-oxopyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-6-oxopyridine-3-sulfonamide (CID 42928868) is N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-6-oxopyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-6-oxopyridine-3-sulfonamide is Cc1csc2nc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)cc(=O)n12.
What is the InChIKey of N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-6-oxopyridine-3-sulfonamide?
The InChIKey is BIUKYGPOCUIOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S2/c1-10-9-24-15-16-11(6-14(21)19(10)15)7-18-8-12(4-5-13(18)20)25(22,23)17(2)3/h4-6,8-9H,7H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-6-oxopyridine-3-sulfonamide?
N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-6-oxopyridine-3-sulfonamide has a molecular weight of 380.45 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 42928868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).