3-[8-(3-methoxyanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one

C19H17N5O3S — CID 67346740

IUPAC3-[8-(3-methoxyanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one
SMILESCOc1cccc(Nc2ncc3c(n2)-c2sc(N4CCOC4=O)nc2CC3)c1
InChIInChI=1S/C19H17N5O3S/c1-26-13-4-2-3-12(9-13)21-17-20-10-11-5-6-14-16(15(11)23-17)28-18(22-14)24-7-8-27-19(24)25/h2-4,9-10H,5-8H2,1H3,(H,20,21,23)
InChIKeyLYBDZFSTZBMZJL-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.41
Rot. Bonds4

About 3-[8-(3-methoxyanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one

3-[8-(3-methoxyanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 67346740) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 3-[8-(3-methoxyanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[8-(3-methoxyanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one
PubChem CID67346740
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name3-[8-(3-methoxyanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one
SMILESCOc1cccc(Nc2ncc3c(n2)-c2sc(N4CCOC4=O)nc2CC3)c1
InChIInChI=1S/C19H17N5O3S/c1-26-13-4-2-3-12(9-13)21-17-20-10-11-5-6-14-16(15(11)23-17)28-18(22-14)24-7-8-27-19(24)25/h2-4,9-10H,5-8H2,1H3,(H,20,21,23)
InChIKeyLYBDZFSTZBMZJL-UHFFFAOYSA-N
XLogP3.41
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(3-methoxyanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[8-(3-methoxyanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one (CID 67346740) is 3-[8-(3-methoxyanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[8-(3-methoxyanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[8-(3-methoxyanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one is COc1cccc(Nc2ncc3c(n2)-c2sc(N4CCOC4=O)nc2CC3)c1.
What is the InChIKey of 3-[8-(3-methoxyanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is LYBDZFSTZBMZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-26-13-4-2-3-12(9-13)21-17-20-10-11-5-6-14-16(15(11)23-17)28-18(22-14)24-7-8-27-19(24)25/h2-4,9-10H,5-8H2,1H3,(H,20,21,23).
What are the key properties of 3-[8-(3-methoxyanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one?
3-[8-(3-methoxyanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 395.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(3-methoxyanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67346740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).