4-(3,5-difluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine

C23H15F2N5OS — CID 89348061

IUPAC4-(3,5-difluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3nc(-c4cc(F)cc(F)c4)cs3)c2c1
InChIInChI=1S/C23H15F2N5OS/c1-31-17-4-5-19-18(10-17)22(29-21(27-19)13-3-2-6-26-11-13)30-23-28-20(12-32-23)14-7-15(24)9-16(25)8-14/h2-12H,1H3,(H,27,28,29,30)
InChIKeyQGRLMTOMPKBFDD-UHFFFAOYSA-N
MW447.47 g/mol
LogP5.85
Rot. Bonds5

About 4-(3,5-difluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine

4-(3,5-difluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine (PubChem CID 89348061) has the molecular formula C23H15F2N5OS and a molecular weight of 447.47 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine
PubChem CID89348061
Molecular FormulaC23H15F2N5OS
Molecular Weight447.47 g/mol
Exact Mass447.10
IUPAC Name4-(3,5-difluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(Nc3nc(-c4cc(F)cc(F)c4)cs3)c2c1
InChIInChI=1S/C23H15F2N5OS/c1-31-17-4-5-19-18(10-17)22(29-21(27-19)13-3-2-6-26-11-13)30-23-28-20(12-32-23)14-7-15(24)9-16(25)8-14/h2-12H,1H3,(H,27,28,29,30)
InChIKeyQGRLMTOMPKBFDD-UHFFFAOYSA-N
XLogP5.85
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.47
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,5-difluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine (CID 89348061) is 4-(3,5-difluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,5-difluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,5-difluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine is COc1ccc2nc(-c3cccnc3)nc(Nc3nc(-c4cc(F)cc(F)c4)cs3)c2c1.
What is the InChIKey of 4-(3,5-difluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is QGRLMTOMPKBFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N5OS/c1-31-17-4-5-19-18(10-17)22(29-21(27-19)13-3-2-6-26-11-13)30-23-28-20(12-32-23)14-7-15(24)9-16(25)8-14/h2-12H,1H3,(H,27,28,29,30).
What are the key properties of 4-(3,5-difluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine?
4-(3,5-difluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 447.47 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89348061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).