N-[4-(difluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

C23H21F2N5OS — CID 59325610

IUPACN-[4-(difluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESFC(F)c1ccc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4)cc3n2)cc1
InChIInChI=1S/C23H21F2N5OS/c24-21(25)14-1-3-16(4-2-14)29-23-28-13-15-11-18(22-27-9-10-32-22)20(12-19(15)30-23)31-17-5-7-26-8-6-17/h1-4,9-13,17,21,26H,5-8H2,(H,28,29,30)
InChIKeyWZWQQUMLJQZHBX-UHFFFAOYSA-N
MW453.52 g/mol
LogP5.57
Rot. Bonds6

About N-[4-(difluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

N-[4-(difluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 59325610) has the molecular formula C23H21F2N5OS and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[4-(difluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[4-(difluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
PubChem CID59325610
Molecular FormulaC23H21F2N5OS
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-[4-(difluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESFC(F)c1ccc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4)cc3n2)cc1
InChIInChI=1S/C23H21F2N5OS/c24-21(25)14-1-3-16(4-2-14)29-23-28-13-15-11-18(22-27-9-10-32-22)20(12-19(15)30-23)31-17-5-7-26-8-6-17/h1-4,9-13,17,21,26H,5-8H2,(H,28,29,30)
InChIKeyWZWQQUMLJQZHBX-UHFFFAOYSA-N
XLogP5.57
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.52
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The IUPAC name of N-[4-(difluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 59325610) is N-[4-(difluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.
What is the SMILES notation for N-[4-(difluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The canonical SMILES for N-[4-(difluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is FC(F)c1ccc(Nc2ncc3cc(-c4nccs4)c(OC4CCNCC4)cc3n2)cc1.
What is the InChIKey of N-[4-(difluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The InChIKey is WZWQQUMLJQZHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5OS/c24-21(25)14-1-3-16(4-2-14)29-23-28-13-15-11-18(22-27-9-10-32-22)20(12-19(15)30-23)31-17-5-7-26-8-6-17/h1-4,9-13,17,21,26H,5-8H2,(H,28,29,30).
What are the key properties of N-[4-(difluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
N-[4-(difluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 453.52 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 59325610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).