N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine

C20H19N3OS2 — CID 169214269

IUPACN-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine
SMILESCSc1cc2c(Nc3ccc4scnc4c3)ccnc2cc1OC(C)C
InChIInChI=1S/C20H19N3OS2/c1-12(2)24-18-10-16-14(9-20(18)25-3)15(6-7-21-16)23-13-4-5-19-17(8-13)22-11-26-19/h4-12H,1-3H3,(H,21,23)
InChIKeyATUKWUWKLZVHPD-UHFFFAOYSA-N
MW381.53 g/mol
LogP6.10
Rot. Bonds5

About N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine

N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine (PubChem CID 169214269) has the molecular formula C20H19N3OS2 and a molecular weight of 381.53 g/mol. Its IUPAC name is N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine
PubChem CID169214269
Molecular FormulaC20H19N3OS2
Molecular Weight381.53 g/mol
Exact Mass381.10
IUPAC NameN-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine
SMILESCSc1cc2c(Nc3ccc4scnc4c3)ccnc2cc1OC(C)C
InChIInChI=1S/C20H19N3OS2/c1-12(2)24-18-10-16-14(9-20(18)25-3)15(6-7-21-16)23-13-4-5-19-17(8-13)22-11-26-19/h4-12H,1-3H3,(H,21,23)
InChIKeyATUKWUWKLZVHPD-UHFFFAOYSA-N
XLogP6.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.53
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-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-[7-(difluoromethoxy)-6-dimethylphosphanylquinolin-4-yl]-1,3-benzothiazol-5-amine
CID 165123386
N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine
CID 165123357
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-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine
CID 156804970
N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2-propan-2-ylthieno[2,3-g]quinolin-8-amine
CID 156575906
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
prop-1-en-2-yl 4-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfanylpiperidine-1-carboxylate
CID 89418662
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)-3-(oxetan-3-yloxy)-1,1-dioxothieno[2,3-g]quinolin-8-amine
CID 156575922

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine?
The IUPAC name of N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine (CID 169214269) is N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine?
The canonical SMILES for N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine is CSc1cc2c(Nc3ccc4scnc4c3)ccnc2cc1OC(C)C.
What is the InChIKey of N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine?
The InChIKey is ATUKWUWKLZVHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS2/c1-12(2)24-18-10-16-14(9-20(18)25-3)15(6-7-21-16)23-13-4-5-19-17(8-13)22-11-26-19/h4-12H,1-3H3,(H,21,23).
What are the key properties of N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine?
N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine has a molecular weight of 381.53 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine is sourced from PubChem (CID 169214269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).