N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(1,3-thiazol-2-yl)quinazolin-8-amine

C21H21N7S — CID 46186521

IUPACN-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(1,3-thiazol-2-yl)quinazolin-8-amine
SMILESNC1CCCN(c2ccncc2Nc2cccc3cnc(-c4nccs4)nc23)C1
InChIInChI=1S/C21H21N7S/c22-15-4-2-9-28(13-15)18-6-7-23-12-17(18)26-16-5-1-3-14-11-25-20(27-19(14)16)21-24-8-10-29-21/h1,3,5-8,10-12,15,26H,2,4,9,13,22H2
InChIKeyOAYLGJMFKMEJKI-UHFFFAOYSA-N
MW403.52 g/mol
LogP3.82
Rot. Bonds4

About N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(1,3-thiazol-2-yl)quinazolin-8-amine

N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(1,3-thiazol-2-yl)quinazolin-8-amine (PubChem CID 46186521) has the molecular formula C21H21N7S and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(1,3-thiazol-2-yl)quinazolin-8-amine.

Molecular Properties

Compound NameN-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(1,3-thiazol-2-yl)quinazolin-8-amine
PubChem CID46186521
Molecular FormulaC21H21N7S
Molecular Weight403.52 g/mol
Exact Mass403.16
IUPAC NameN-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(1,3-thiazol-2-yl)quinazolin-8-amine
SMILESNC1CCCN(c2ccncc2Nc2cccc3cnc(-c4nccs4)nc23)C1
InChIInChI=1S/C21H21N7S/c22-15-4-2-9-28(13-15)18-6-7-23-12-17(18)26-16-5-1-3-14-11-25-20(27-19(14)16)21-24-8-10-29-21/h1,3,5-8,10-12,15,26H,2,4,9,13,22H2
InChIKeyOAYLGJMFKMEJKI-UHFFFAOYSA-N
XLogP3.82
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(1,3-thiazol-2-yl)quinazolin-8-amine?
The IUPAC name of N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(1,3-thiazol-2-yl)quinazolin-8-amine (CID 46186521) is N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(1,3-thiazol-2-yl)quinazolin-8-amine.
What is the SMILES notation for N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(1,3-thiazol-2-yl)quinazolin-8-amine?
The canonical SMILES for N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(1,3-thiazol-2-yl)quinazolin-8-amine is NC1CCCN(c2ccncc2Nc2cccc3cnc(-c4nccs4)nc23)C1.
What is the InChIKey of N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(1,3-thiazol-2-yl)quinazolin-8-amine?
The InChIKey is OAYLGJMFKMEJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7S/c22-15-4-2-9-28(13-15)18-6-7-23-12-17(18)26-16-5-1-3-14-11-25-20(27-19(14)16)21-24-8-10-29-21/h1,3,5-8,10-12,15,26H,2,4,9,13,22H2.
What are the key properties of N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(1,3-thiazol-2-yl)quinazolin-8-amine?
N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(1,3-thiazol-2-yl)quinazolin-8-amine has a molecular weight of 403.52 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(1,3-thiazol-2-yl)quinazolin-8-amine is sourced from PubChem (CID 46186521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).