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

C20H15N3S2 — CID 156804970

IUPACN-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine
SMILESCc1sc2cc3c(Nc4ccc5scnc5c4)ccnc3cc2c1C
InChIInChI=1S/C20H15N3S2/c1-11-12(2)25-20-9-15-16(5-6-21-17(15)8-14(11)20)23-13-3-4-19-18(7-13)22-10-24-19/h3-10H,1-2H3,(H,21,23)
InChIKeyIVLFTZDAUSCREF-UHFFFAOYSA-N
MW361.50 g/mol
LogP6.42
Rot. Bonds2

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

N-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine (PubChem CID 156804970) has the molecular formula C20H15N3S2 and a molecular weight of 361.50 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine
PubChem CID156804970
Molecular FormulaC20H15N3S2
Molecular Weight361.50 g/mol
Exact Mass361.07
IUPAC NameN-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine
SMILESCc1sc2cc3c(Nc4ccc5scnc5c4)ccnc3cc2c1C
InChIInChI=1S/C20H15N3S2/c1-11-12(2)25-20-9-15-16(5-6-21-17(15)8-14(11)20)23-13-3-4-19-18(7-13)22-10-24-19/h3-10H,1-2H3,(H,21,23)
InChIKeyIVLFTZDAUSCREF-UHFFFAOYSA-N
XLogP6.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.50
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[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)-2-methylthieno[2,3-g]quinolin-8-amine
CID 156805035
N-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine
CID 171618380
N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine
CID 165123357
N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine
CID 169214269
N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2-propan-2-ylthieno[2,3-g]quinolin-8-amine
CID 156575906
N-[7-(difluoromethoxy)-6-dimethylphosphanylquinolin-4-yl]-1,3-benzothiazol-5-amine
CID 165123386
N-[6-(2,2,2-trifluoroethylsulfinyl)quinolin-4-yl]-1,3-benzothiazol-5-amine
CID 123896802
2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide
CID 71269681
N-[6-(oxan-4-ylsulfinyl)quinolin-4-yl]-1,3-benzothiazol-5-amine
CID 123272248
8-(1,3-benzothiazol-5-ylamino)-2-methyl-1-oxo-2-prop-2-enylthieno[2,3-g]quinolin-3-one
CID 156804975
N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)thieno[2,3-b]pyridin-4-amine
CID 154953282
N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
CID 154942255

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine (CID 156804970) is N-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine is Cc1sc2cc3c(Nc4ccc5scnc5c4)ccnc3cc2c1C.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine?
The InChIKey is IVLFTZDAUSCREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3S2/c1-11-12(2)25-20-9-15-16(5-6-21-17(15)8-14(11)20)23-13-3-4-19-18(7-13)22-10-24-19/h3-10H,1-2H3,(H,21,23).
What are the key properties of N-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine?
N-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine has a molecular weight of 361.50 g/mol, XLogP of 6.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine is sourced from PubChem (CID 156804970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).