N-(3-methylsulfanylphenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine

C17H15N3O2S2 — CID 59344968

IUPACN-(3-methylsulfanylphenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESCSc1cccc(Nc2ncnc3ccc4c(c23)CCS4(=O)=O)c1
InChIInChI=1S/C17H15N3O2S2/c1-23-12-4-2-3-11(9-12)20-17-16-13-7-8-24(21,22)15(13)6-5-14(16)18-10-19-17/h2-6,9-10H,7-8H2,1H3,(H,18,19,20)
InChIKeyCAHIEGAXUGTWQD-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.43
Rot. Bonds3

About N-(3-methylsulfanylphenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine

N-(3-methylsulfanylphenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (PubChem CID 59344968) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
PubChem CID59344968
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC NameN-(3-methylsulfanylphenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESCSc1cccc(Nc2ncnc3ccc4c(c23)CCS4(=O)=O)c1
InChIInChI=1S/C17H15N3O2S2/c1-23-12-4-2-3-11(9-12)20-17-16-13-7-8-24(21,22)15(13)6-5-14(16)18-10-19-17/h2-6,9-10H,7-8H2,1H3,(H,18,19,20)
InChIKeyCAHIEGAXUGTWQD-UHFFFAOYSA-N
XLogP3.43
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The IUPAC name of N-(3-methylsulfanylphenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (CID 59344968) is N-(3-methylsulfanylphenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The canonical SMILES for N-(3-methylsulfanylphenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is CSc1cccc(Nc2ncnc3ccc4c(c23)CCS4(=O)=O)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The InChIKey is CAHIEGAXUGTWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S2/c1-23-12-4-2-3-11(9-12)20-17-16-13-7-8-24(21,22)15(13)6-5-14(16)18-10-19-17/h2-6,9-10H,7-8H2,1H3,(H,18,19,20).
What are the key properties of N-(3-methylsulfanylphenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
N-(3-methylsulfanylphenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine has a molecular weight of 357.46 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is sourced from PubChem (CID 59344968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).