N-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide

C19H18N6O4S2 — CID 67348792

IUPACN-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Nc2ncc3c(n2)-c2sc(N4CCOC4=O)nc2CC3)cc1
InChIInChI=1S/C19H18N6O4S2/c1-31(27,28)24-13-5-3-12(4-6-13)21-17-20-10-11-2-7-14-16(15(11)23-17)30-18(22-14)25-8-9-29-19(25)26/h3-6,10,24H,2,7-9H2,1H3,(H,20,21,23)
InChIKeyMGOYLWPUFPPLLW-UHFFFAOYSA-N
MW458.53 g/mol
LogP2.77
Rot. Bonds5

About N-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide

N-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide (PubChem CID 67348792) has the molecular formula C19H18N6O4S2 and a molecular weight of 458.53 g/mol. Its IUPAC name is N-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide
PubChem CID67348792
Molecular FormulaC19H18N6O4S2
Molecular Weight458.53 g/mol
Exact Mass458.08
IUPAC NameN-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Nc2ncc3c(n2)-c2sc(N4CCOC4=O)nc2CC3)cc1
InChIInChI=1S/C19H18N6O4S2/c1-31(27,28)24-13-5-3-12(4-6-13)21-17-20-10-11-2-7-14-16(15(11)23-17)30-18(22-14)25-8-9-29-19(25)26/h3-6,10,24H,2,7-9H2,1H3,(H,20,21,23)
InChIKeyMGOYLWPUFPPLLW-UHFFFAOYSA-N
XLogP2.77
TPSA126.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide (CID 67348792) is N-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Nc2ncc3c(n2)-c2sc(N4CCOC4=O)nc2CC3)cc1.
What is the InChIKey of N-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide?
The InChIKey is MGOYLWPUFPPLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4S2/c1-31(27,28)24-13-5-3-12(4-6-13)21-17-20-10-11-2-7-14-16(15(11)23-17)30-18(22-14)25-8-9-29-19(25)26/h3-6,10,24H,2,7-9H2,1H3,(H,20,21,23).
What are the key properties of N-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide?
N-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide has a molecular weight of 458.53 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 67348792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).