N-(1,3-benzothiazol-5-yl)-3-(oxetan-3-yloxy)-1,1-dioxothieno[2,3-g]quinolin-8-amine

C21H15N3O4S2 — CID 156575922

IUPACN-(1,3-benzothiazol-5-yl)-3-(oxetan-3-yloxy)-1,1-dioxothieno[2,3-g]quinolin-8-amine
SMILESO=S1(=O)C=C(OC2COC2)c2cc3nccc(Nc4ccc5scnc5c4)c3cc21
InChIInChI=1S/C21H15N3O4S2/c25-30(26)10-19(28-13-8-27-9-13)15-6-17-14(7-21(15)30)16(3-4-22-17)24-12-1-2-20-18(5-12)23-11-29-20/h1-7,10-11,13H,8-9H2,(H,22,24)
InChIKeyAVAQBYPVNBUSGW-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.09
Rot. Bonds4

About N-(1,3-benzothiazol-5-yl)-3-(oxetan-3-yloxy)-1,1-dioxothieno[2,3-g]quinolin-8-amine

N-(1,3-benzothiazol-5-yl)-3-(oxetan-3-yloxy)-1,1-dioxothieno[2,3-g]quinolin-8-amine (PubChem CID 156575922) has the molecular formula C21H15N3O4S2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-3-(oxetan-3-yloxy)-1,1-dioxothieno[2,3-g]quinolin-8-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-3-(oxetan-3-yloxy)-1,1-dioxothieno[2,3-g]quinolin-8-amine
PubChem CID156575922
Molecular FormulaC21H15N3O4S2
Molecular Weight437.50 g/mol
Exact Mass437.05
IUPAC NameN-(1,3-benzothiazol-5-yl)-3-(oxetan-3-yloxy)-1,1-dioxothieno[2,3-g]quinolin-8-amine
SMILESO=S1(=O)C=C(OC2COC2)c2cc3nccc(Nc4ccc5scnc5c4)c3cc21
InChIInChI=1S/C21H15N3O4S2/c25-30(26)10-19(28-13-8-27-9-13)15-6-17-14(7-21(15)30)16(3-4-22-17)24-12-1-2-20-18(5-12)23-11-29-20/h1-7,10-11,13H,8-9H2,(H,22,24)
InChIKeyAVAQBYPVNBUSGW-UHFFFAOYSA-N
XLogP4.09
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1,3-benzothiazol-5-yl)-3-(oxetan-3-yloxy)-1,1-dioxothieno[2,3-g]quinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2-propan-2-ylthieno[2,3-g]quinolin-8-amine
CID 156575906
N-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine
CID 171618380
N-[6-(oxan-4-ylsulfinyl)quinolin-4-yl]-1,3-benzothiazol-5-amine
CID 123272248
N-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine
CID 156805035
N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine
CID 165123357
N-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine
CID 156804970
N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine
CID 169214269
8-(1,3-benzothiazol-5-ylamino)-2-methyl-1-oxo-2-prop-2-enylthieno[2,3-g]quinolin-3-one
CID 156804975
N-[7-(difluoromethoxy)-6-dimethylphosphanylquinolin-4-yl]-1,3-benzothiazol-5-amine
CID 165123386
2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide
CID 71269681
N-[6-(2,2,2-trifluoroethylsulfinyl)quinolin-4-yl]-1,3-benzothiazol-5-amine
CID 123896802
(2R)-1-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonyl-2-methylpyrrolidin-1-ium-1-carboxylic acid
CID 118339845

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-3-(oxetan-3-yloxy)-1,1-dioxothieno[2,3-g]quinolin-8-amine?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-3-(oxetan-3-yloxy)-1,1-dioxothieno[2,3-g]quinolin-8-amine (CID 156575922) is N-(1,3-benzothiazol-5-yl)-3-(oxetan-3-yloxy)-1,1-dioxothieno[2,3-g]quinolin-8-amine.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-3-(oxetan-3-yloxy)-1,1-dioxothieno[2,3-g]quinolin-8-amine?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-3-(oxetan-3-yloxy)-1,1-dioxothieno[2,3-g]quinolin-8-amine is O=S1(=O)C=C(OC2COC2)c2cc3nccc(Nc4ccc5scnc5c4)c3cc21.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-3-(oxetan-3-yloxy)-1,1-dioxothieno[2,3-g]quinolin-8-amine?
The InChIKey is AVAQBYPVNBUSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4S2/c25-30(26)10-19(28-13-8-27-9-13)15-6-17-14(7-21(15)30)16(3-4-22-17)24-12-1-2-20-18(5-12)23-11-29-20/h1-7,10-11,13H,8-9H2,(H,22,24).
What are the key properties of N-(1,3-benzothiazol-5-yl)-3-(oxetan-3-yloxy)-1,1-dioxothieno[2,3-g]quinolin-8-amine?
N-(1,3-benzothiazol-5-yl)-3-(oxetan-3-yloxy)-1,1-dioxothieno[2,3-g]quinolin-8-amine has a molecular weight of 437.50 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-3-(oxetan-3-yloxy)-1,1-dioxothieno[2,3-g]quinolin-8-amine is sourced from PubChem (CID 156575922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).