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

C18H14ClN5O2S — CID 67346874

IUPAC3-[8-(3-chloroanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1nc2c(s1)-c1nc(Nc3cccc(Cl)c3)ncc1CC2
InChIInChI=1S/C18H14ClN5O2S/c19-11-2-1-3-12(8-11)21-16-20-9-10-4-5-13-15(14(10)23-16)27-17(22-13)24-6-7-26-18(24)25/h1-3,8-9H,4-7H2,(H,20,21,23)
InChIKeyDKPNCWFVESYMLA-UHFFFAOYSA-N
MW399.86 g/mol
LogP4.05
Rot. Bonds3

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

3-[8-(3-chloroanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 67346874) has the molecular formula C18H14ClN5O2S and a molecular weight of 399.86 g/mol. Its IUPAC name is 3-[8-(3-chloroanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[8-(3-chloroanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one
PubChem CID67346874
Molecular FormulaC18H14ClN5O2S
Molecular Weight399.86 g/mol
Exact Mass399.06
IUPAC Name3-[8-(3-chloroanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1nc2c(s1)-c1nc(Nc3cccc(Cl)c3)ncc1CC2
InChIInChI=1S/C18H14ClN5O2S/c19-11-2-1-3-12(8-11)21-16-20-9-10-4-5-13-15(14(10)23-16)27-17(22-13)24-6-7-26-18(24)25/h1-3,8-9H,4-7H2,(H,20,21,23)
InChIKeyDKPNCWFVESYMLA-UHFFFAOYSA-N
XLogP4.05
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(3-chloroanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[8-(3-chloroanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one (CID 67346874) is 3-[8-(3-chloroanilino)-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-chloroanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[8-(3-chloroanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one is O=C1OCCN1c1nc2c(s1)-c1nc(Nc3cccc(Cl)c3)ncc1CC2.
What is the InChIKey of 3-[8-(3-chloroanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is DKPNCWFVESYMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2S/c19-11-2-1-3-12(8-11)21-16-20-9-10-4-5-13-15(14(10)23-16)27-17(22-13)24-6-7-26-18(24)25/h1-3,8-9H,4-7H2,(H,20,21,23).
What are the key properties of 3-[8-(3-chloroanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one?
3-[8-(3-chloroanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 399.86 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(3-chloroanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67346874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).