3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one

C18H15ClN2OS2 — CID 3670092

IUPAC3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n1C(CSCc1ccc(Cl)cc1)CS2
InChIInChI=1S/C18H15ClN2OS2/c19-13-7-5-12(6-8-13)9-23-10-14-11-24-18-20-16-4-2-1-3-15(16)17(22)21(14)18/h1-8,14H,9-11H2
InChIKeyXXZNPEFTVPSLQG-UHFFFAOYSA-N
MW374.92 g/mol
LogP4.63
Rot. Bonds4

About 3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one

3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one (PubChem CID 3670092) has the molecular formula C18H15ClN2OS2 and a molecular weight of 374.92 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
PubChem CID3670092
Molecular FormulaC18H15ClN2OS2
Molecular Weight374.92 g/mol
Exact Mass374.03
IUPAC Name3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n1C(CSCc1ccc(Cl)cc1)CS2
InChIInChI=1S/C18H15ClN2OS2/c19-13-7-5-12(6-8-13)9-23-10-14-11-24-18-20-16-4-2-1-3-15(16)17(22)21(14)18/h1-8,14H,9-11H2
InChIKeyXXZNPEFTVPSLQG-UHFFFAOYSA-N
XLogP4.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one (CID 3670092) is 3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one is O=c1c2ccccc2nc2n1C(CSCc1ccc(Cl)cc1)CS2.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The InChIKey is XXZNPEFTVPSLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS2/c19-13-7-5-12(6-8-13)9-23-10-14-11-24-18-20-16-4-2-1-3-15(16)17(22)21(14)18/h1-8,14H,9-11H2.
What are the key properties of 3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one has a molecular weight of 374.92 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 3670092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).