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

C21H20N6O3S — CID 67348664

IUPACN-[3-[[2-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncc3c(n2)-c2sc(N4C(=O)OCC4C)nc2CC3)c1
InChIInChI=1S/C21H20N6O3S/c1-11-10-30-21(29)27(11)20-25-16-7-6-13-9-22-19(26-17(13)18(16)31-20)24-15-5-3-4-14(8-15)23-12(2)28/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,23,28)(H,22,24,26)
InChIKeyQBSSUHPSLHAIJU-UHFFFAOYSA-N
MW436.50 g/mol
LogP3.75
Rot. Bonds4

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

N-[3-[[2-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide (PubChem CID 67348664) has the molecular formula C21H20N6O3S and a molecular weight of 436.50 g/mol. Its IUPAC name is N-[3-[[2-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[2-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide
PubChem CID67348664
Molecular FormulaC21H20N6O3S
Molecular Weight436.50 g/mol
Exact Mass436.13
IUPAC NameN-[3-[[2-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncc3c(n2)-c2sc(N4C(=O)OCC4C)nc2CC3)c1
InChIInChI=1S/C21H20N6O3S/c1-11-10-30-21(29)27(11)20-25-16-7-6-13-9-22-19(26-17(13)18(16)31-20)24-15-5-3-4-14(8-15)23-12(2)28/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,23,28)(H,22,24,26)
InChIKeyQBSSUHPSLHAIJU-UHFFFAOYSA-N
XLogP3.75
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[2-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide (CID 67348664) is N-[3-[[2-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[2-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[2-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncc3c(n2)-c2sc(N4C(=O)OCC4C)nc2CC3)c1.
What is the InChIKey of N-[3-[[2-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide?
The InChIKey is QBSSUHPSLHAIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S/c1-11-10-30-21(29)27(11)20-25-16-7-6-13-9-22-19(26-17(13)18(16)31-20)24-15-5-3-4-14(8-15)23-12(2)28/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,23,28)(H,22,24,26).
What are the key properties of N-[3-[[2-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide?
N-[3-[[2-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide has a molecular weight of 436.50 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]acetamide is sourced from PubChem (CID 67348664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).