N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine

C19H18N3O2PS — CID 165123357

IUPACN-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine
SMILESCOc1cc2nccc(Nc3ccc4scnc4c3)c2cc1P(C)(C)=O
InChIInChI=1S/C19H18N3O2PS/c1-24-17-10-15-13(9-18(17)25(2,3)23)14(6-7-20-15)22-12-4-5-19-16(8-12)21-11-26-19/h4-11H,1-3H3,(H,20,22)
InChIKeySCBFIYRRWCWQAT-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.84
Rot. Bonds4

About N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine

N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine (PubChem CID 165123357) has the molecular formula C19H18N3O2PS and a molecular weight of 383.41 g/mol. Its IUPAC name is N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine
PubChem CID165123357
Molecular FormulaC19H18N3O2PS
Molecular Weight383.41 g/mol
Exact Mass383.09
IUPAC NameN-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine
SMILESCOc1cc2nccc(Nc3ccc4scnc4c3)c2cc1P(C)(C)=O
InChIInChI=1S/C19H18N3O2PS/c1-24-17-10-15-13(9-18(17)25(2,3)23)14(6-7-20-15)22-12-4-5-19-16(8-12)21-11-26-19/h4-11H,1-3H3,(H,20,22)
InChIKeySCBFIYRRWCWQAT-UHFFFAOYSA-N
XLogP4.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-(6-dimethylphosphoryl-7-methoxyquinolin-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-(6-dimethylphosphoryl-7-methoxycinnolin-4-yl)-1,3-benzothiazol-5-amine
CID 165123436
N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine
CID 146437991
N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine
CID 169214269
N-[6-bis(prop-2-enyl)phosphoryl-7-methoxyquinazolin-4-yl]-1,3-benzothiazol-5-amine
CID 146438260
N-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine
CID 156805035
N-[7-(difluoromethoxy)-6-dimethylphosphanylquinolin-4-yl]-1,3-benzothiazol-5-amine
CID 165123386
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
ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine
CID 144534778
N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 18585505
8-(1,3-benzothiazol-5-ylamino)-2-methyl-1-oxo-2-prop-2-enylthieno[2,3-g]quinolin-3-one
CID 156804975

Frequently Asked Questions

What is the IUPAC name of N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine?
The IUPAC name of N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine (CID 165123357) is N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine?
The canonical SMILES for N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine is COc1cc2nccc(Nc3ccc4scnc4c3)c2cc1P(C)(C)=O.
What is the InChIKey of N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine?
The InChIKey is SCBFIYRRWCWQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N3O2PS/c1-24-17-10-15-13(9-18(17)25(2,3)23)14(6-7-20-15)22-12-4-5-19-16(8-12)21-11-26-19/h4-11H,1-3H3,(H,20,22).
What are the key properties of N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine?
N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine has a molecular weight of 383.41 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine is sourced from PubChem (CID 165123357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).