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

C24H17F2N5OS — CID 89348060

IUPAC4-(3,4-difluorophenyl)-N-(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine
SMILESCCOc1ccc2nc(-c3cccnc3)nc(Nc3nc(-c4ccc(F)c(F)c4)cs3)c2c1
InChIInChI=1S/C24H17F2N5OS/c1-2-32-16-6-8-20-17(11-16)23(30-22(28-20)15-4-3-9-27-12-15)31-24-29-21(13-33-24)14-5-7-18(25)19(26)10-14/h3-13H,2H2,1H3,(H,28,29,30,31)
InChIKeyVXSYTFRAUXGTBN-UHFFFAOYSA-N
MW461.50 g/mol
LogP6.24
Rot. Bonds6

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

4-(3,4-difluorophenyl)-N-(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine (PubChem CID 89348060) has the molecular formula C24H17F2N5OS and a molecular weight of 461.50 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine
PubChem CID89348060
Molecular FormulaC24H17F2N5OS
Molecular Weight461.50 g/mol
Exact Mass461.11
IUPAC Name4-(3,4-difluorophenyl)-N-(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine
SMILESCCOc1ccc2nc(-c3cccnc3)nc(Nc3nc(-c4ccc(F)c(F)c4)cs3)c2c1
InChIInChI=1S/C24H17F2N5OS/c1-2-32-16-6-8-20-17(11-16)23(30-22(28-20)15-4-3-9-27-12-15)31-24-29-21(13-33-24)14-5-7-18(25)19(26)10-14/h3-13H,2H2,1H3,(H,28,29,30,31)
InChIKeyVXSYTFRAUXGTBN-UHFFFAOYSA-N
XLogP6.24
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.50
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-difluorophenyl)-N-(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine (CID 89348060) is 4-(3,4-difluorophenyl)-N-(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine is CCOc1ccc2nc(-c3cccnc3)nc(Nc3nc(-c4ccc(F)c(F)c4)cs3)c2c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is VXSYTFRAUXGTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5OS/c1-2-32-16-6-8-20-17(11-16)23(30-22(28-20)15-4-3-9-27-12-15)31-24-29-21(13-33-24)14-5-7-18(25)19(26)10-14/h3-13H,2H2,1H3,(H,28,29,30,31).
What are the key properties of 4-(3,4-difluorophenyl)-N-(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine?
4-(3,4-difluorophenyl)-N-(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 461.50 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89348060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).