N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C24H16F3N5OS — CID 89347770

IUPACN-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)c2c1
InChIInChI=1S/C24H16F3N5OS/c1-33-17-7-8-19-18(11-17)22(31-21(29-19)15-5-3-9-28-12-15)32-23-30-20(13-34-23)14-4-2-6-16(10-14)24(25,26)27/h2-13H,1H3,(H,29,30,31,32)
InChIKeyOZXQFHCATBTOAK-UHFFFAOYSA-N
MW479.49 g/mol
LogP6.59
Rot. Bonds5

About N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 89347770) has the molecular formula C24H16F3N5OS and a molecular weight of 479.49 g/mol. Its IUPAC name is N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID89347770
Molecular FormulaC24H16F3N5OS
Molecular Weight479.49 g/mol
Exact Mass479.10
IUPAC NameN-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)c2c1
InChIInChI=1S/C24H16F3N5OS/c1-33-17-7-8-19-18(11-17)22(31-21(29-19)15-5-3-9-28-12-15)32-23-30-20(13-34-23)14-4-2-6-16(10-14)24(25,26)27/h2-13H,1H3,(H,29,30,31,32)
InChIKeyOZXQFHCATBTOAK-UHFFFAOYSA-N
XLogP6.59
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.49
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 89347770) is N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is COc1ccc2nc(-c3cccnc3)nc(Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)c2c1.
What is the InChIKey of N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is OZXQFHCATBTOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5OS/c1-33-17-7-8-19-18(11-17)22(31-21(29-19)15-5-3-9-28-12-15)32-23-30-20(13-34-23)14-4-2-6-16(10-14)24(25,26)27/h2-13H,1H3,(H,29,30,31,32).
What are the key properties of N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 479.49 g/mol, XLogP of 6.59, 5 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)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 89347770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).