N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2,3-dihydrothieno[2,3-g]quinolin-8-amine

C18H13N3O2S2 — CID 156566129

IUPACN-(1,3-benzothiazol-5-yl)-1,1-dioxo-2,3-dihydrothieno[2,3-g]quinolin-8-amine
SMILESO=S1(=O)CCc2cc3nccc(Nc4ccc5scnc5c4)c3cc21
InChIInChI=1S/C18H13N3O2S2/c22-25(23)6-4-11-7-15-13(9-18(11)25)14(3-5-19-15)21-12-1-2-17-16(8-12)20-10-24-17/h1-3,5,7-10H,4,6H2,(H,19,21)
InChIKeyISVNHJIEJOJDGJ-UHFFFAOYSA-N
MW367.46 g/mol
LogP3.92
Rot. Bonds2

About N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2,3-dihydrothieno[2,3-g]quinolin-8-amine

N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2,3-dihydrothieno[2,3-g]quinolin-8-amine (PubChem CID 156566129) has the molecular formula C18H13N3O2S2 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2,3-dihydrothieno[2,3-g]quinolin-8-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-1,1-dioxo-2,3-dihydrothieno[2,3-g]quinolin-8-amine
PubChem CID156566129
Molecular FormulaC18H13N3O2S2
Molecular Weight367.46 g/mol
Exact Mass367.04
IUPAC NameN-(1,3-benzothiazol-5-yl)-1,1-dioxo-2,3-dihydrothieno[2,3-g]quinolin-8-amine
SMILESO=S1(=O)CCc2cc3nccc(Nc4ccc5scnc5c4)c3cc21
InChIInChI=1S/C18H13N3O2S2/c22-25(23)6-4-11-7-15-13(9-18(11)25)14(3-5-19-15)21-12-1-2-17-16(8-12)20-10-24-17/h1-3,5,7-10H,4,6H2,(H,19,21)
InChIKeyISVNHJIEJOJDGJ-UHFFFAOYSA-N
XLogP3.92
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2,3-dihydrothieno[2,3-g]quinolin-8-amine?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2,3-dihydrothieno[2,3-g]quinolin-8-amine (CID 156566129) is N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2,3-dihydrothieno[2,3-g]quinolin-8-amine.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2,3-dihydrothieno[2,3-g]quinolin-8-amine?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2,3-dihydrothieno[2,3-g]quinolin-8-amine is O=S1(=O)CCc2cc3nccc(Nc4ccc5scnc5c4)c3cc21.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2,3-dihydrothieno[2,3-g]quinolin-8-amine?
The InChIKey is ISVNHJIEJOJDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S2/c22-25(23)6-4-11-7-15-13(9-18(11)25)14(3-5-19-15)21-12-1-2-17-16(8-12)20-10-24-17/h1-3,5,7-10H,4,6H2,(H,19,21).
What are the key properties of N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2,3-dihydrothieno[2,3-g]quinolin-8-amine?
N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2,3-dihydrothieno[2,3-g]quinolin-8-amine has a molecular weight of 367.46 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2,3-dihydrothieno[2,3-g]quinolin-8-amine is sourced from PubChem (CID 156566129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).