N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine

C21H15N5OS — CID 71273583

IUPACN-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3ccc4ncsc4c3)c2c1
InChIInChI=1S/C21H15N5OS/c1-27-15-5-7-17-16(10-15)21(26-20(25-17)13-3-2-8-22-11-13)24-14-4-6-18-19(9-14)28-12-23-18/h2-12H,1H3,(H,24,25,26)
InChIKeyCLKAUGLFIPOSAW-UHFFFAOYSA-N
MW385.45 g/mol
LogP5.05
Rot. Bonds4

About N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine

N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine (PubChem CID 71273583) has the molecular formula C21H15N5OS and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine
PubChem CID71273583
Molecular FormulaC21H15N5OS
Molecular Weight385.45 g/mol
Exact Mass385.10
IUPAC NameN-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3ccc4ncsc4c3)c2c1
InChIInChI=1S/C21H15N5OS/c1-27-15-5-7-17-16(10-15)21(26-20(25-17)13-3-2-8-22-11-13)24-14-4-6-18-19(9-14)28-12-23-18/h2-12H,1H3,(H,24,25,26)
InChIKeyCLKAUGLFIPOSAW-UHFFFAOYSA-N
XLogP5.05
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine with MolForge

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Related Compounds

6-methoxy-2-pyridin-3-yl-N-quinolin-6-ylquinazolin-4-amine
CID 71274406
N-(4-chloro-3-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274391
6-methoxy-N-[3-(1,3-oxazol-2-yl)phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180917
2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine
CID 71180927
7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one
CID 89417197
7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4H-1,4-benzoxazin-3-one
CID 71180918
7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 71181163
N-(2,6-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274367
6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine
CID 71274409
6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180169
6-[[6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-yl]amino]-3H-1,3-benzothiazol-2-one
CID 71180042
N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine (CID 71273583) is N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine is COc1ccc2nc(-c3cccnc3)nc(Nc3ccc4ncsc4c3)c2c1.
What is the InChIKey of N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine?
The InChIKey is CLKAUGLFIPOSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS/c1-27-15-5-7-17-16(10-15)21(26-20(25-17)13-3-2-8-22-11-13)24-14-4-6-18-19(9-14)28-12-23-18/h2-12H,1H3,(H,24,25,26).
What are the key properties of N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine?
N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine has a molecular weight of 385.45 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 71273583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).