(3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one

C17H13FN2OS2 — CID 1474960

IUPAC(3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n1[C@H](CSc1ccc(F)cc1)CS2
InChIInChI=1S/C17H13FN2OS2/c18-11-5-7-13(8-6-11)22-9-12-10-23-17-19-15-4-2-1-3-14(15)16(21)20(12)17/h1-8,12H,9-10H2/t12-/m1/s1
InChIKeyQJNIYDOCQPEBAO-GFCCVEGCSA-N
MW344.44 g/mol
LogP3.97
Rot. Bonds3

About (3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one

(3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one (PubChem CID 1474960) has the molecular formula C17H13FN2OS2 and a molecular weight of 344.44 g/mol. Its IUPAC name is (3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name(3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
PubChem CID1474960
Molecular FormulaC17H13FN2OS2
Molecular Weight344.44 g/mol
Exact Mass344.05
IUPAC Name(3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n1[C@H](CSc1ccc(F)cc1)CS2
InChIInChI=1S/C17H13FN2OS2/c18-11-5-7-13(8-6-11)22-9-12-10-23-17-19-15-4-2-1-3-14(15)16(21)20(12)17/h1-8,12H,9-10H2/t12-/m1/s1
InChIKeyQJNIYDOCQPEBAO-GFCCVEGCSA-N
XLogP3.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one with MolForge

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Related Compounds

(3R)-3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 1490360
(3R)-3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 1490374
3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 3670093
(3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one
CID 136911540
12-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 16860202
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 2561583
2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one
CID 2652423
13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one
CID 53335690
3-(phenylsulfanylmethyl)-2,5,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-8-one
CID 137176278
3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 1479805
2-[(12R)-6-(4-fluorophenyl)-2-oxo-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-12-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 42477075
N-butyl-2-[6-(4-fluorophenyl)-2-oxo-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-12-yl]-N-phenylacetamide
CID 16860275

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of (3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one (CID 1474960) is (3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for (3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for (3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one is O=c1c2ccccc2nc2n1[C@H](CSc1ccc(F)cc1)CS2.
What is the InChIKey of (3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The InChIKey is QJNIYDOCQPEBAO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H13FN2OS2/c18-11-5-7-13(8-6-11)22-9-12-10-23-17-19-15-4-2-1-3-14(15)16(21)20(12)17/h1-8,12H,9-10H2/t12-/m1/s1.
What are the key properties of (3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
(3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one has a molecular weight of 344.44 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 1474960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).