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

C17H12Cl2N2OS2 — CID 1490360

IUPAC(3R)-3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n1[C@H](CSc1cc(Cl)ccc1Cl)CS2
InChIInChI=1S/C17H12Cl2N2OS2/c18-10-5-6-13(19)15(7-10)23-8-11-9-24-17-20-14-4-2-1-3-12(14)16(22)21(11)17/h1-7,11H,8-9H2/t11-/m1/s1
InChIKeyAMKQLBQRRYUAHE-LLVKDONJSA-N
MW395.34 g/mol
LogP5.14
Rot. Bonds3

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

(3R)-3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one (PubChem CID 1490360) has the molecular formula C17H12Cl2N2OS2 and a molecular weight of 395.34 g/mol. Its IUPAC name is (3R)-3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name(3R)-3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
PubChem CID1490360
Molecular FormulaC17H12Cl2N2OS2
Molecular Weight395.34 g/mol
Exact Mass393.98
IUPAC Name(3R)-3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n1[C@H](CSc1cc(Cl)ccc1Cl)CS2
InChIInChI=1S/C17H12Cl2N2OS2/c18-10-5-6-13(19)15(7-10)23-8-11-9-24-17-20-14-4-2-1-3-12(14)16(22)21(11)17/h1-7,11H,8-9H2/t11-/m1/s1
InChIKeyAMKQLBQRRYUAHE-LLVKDONJSA-N
XLogP5.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.34
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 1474960
(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
3-cyclopropyl-2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 9381565
N-(4-chloro-2-methylphenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8980194
N-(4-anilinophenyl)-2-[6-(3-chlorophenyl)-2-oxo-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-12-yl]acetamide
CID 16859942
N-(2,5-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1075082
N,N-dibenzyl-2-[6-(3-chlorophenyl)-2-oxo-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-12-yl]acetamide
CID 16859735
2-chloro-6-(4-methylphenyl)-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one
CID 137185607
2-[(12S)-6-(3-chlorophenyl)-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-ylacetamide
CID 51511901
3-(phenylsulfanylmethyl)-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),6,10(15)-trien-8-one
CID 43845278
[2-(2,5-dichlorophenyl)sulfanylquinolin-4-yl]methanamine
CID 63885874

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of (3R)-3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one (CID 1490360) is (3R)-3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for (3R)-3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for (3R)-3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one is O=c1c2ccccc2nc2n1[C@H](CSc1cc(Cl)ccc1Cl)CS2.
What is the InChIKey of (3R)-3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The InChIKey is AMKQLBQRRYUAHE-LLVKDONJSA-N. The full InChI is InChI=1S/C17H12Cl2N2OS2/c18-10-5-6-13(19)15(7-10)23-8-11-9-24-17-20-14-4-2-1-3-12(14)16(22)21(11)17/h1-7,11H,8-9H2/t11-/m1/s1.
What are the key properties of (3R)-3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
(3R)-3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one has a molecular weight of 395.34 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 1490360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).