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2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine

C23H23N7S — CID 155725193

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine
SMILESCc1cnc(CN2C3CC2CN(c2ccc(-c4nc(N)c5ccccc5n4)cn2)C3)s1
InChIInChI=1S/C23H23N7S/c1-14-9-26-21(31-14)13-30-16-8-17(30)12-29(11-16)20-7-6-15(10-25-20)23-27-19-5-3-2-4-18(19)22(24)28-23/h2-7,9-10,16-17H,8,11-13H2,1H3,(H2,24,27,28)
InChIKeyXEVBIEQAVNOJHE-UHFFFAOYSA-N
MW429.55 g/mol
LogP3.50
Rot. Bonds4

About 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine

2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine (PubChem CID 155725193) has the molecular formula C23H23N7S and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine
PubChem CID155725193
Molecular FormulaC23H23N7S
Molecular Weight429.55 g/mol
Exact Mass429.17
IUPAC Name2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine
SMILESCc1cnc(CN2C3CC2CN(c2ccc(-c4nc(N)c5ccccc5n4)cn2)C3)s1
InChIInChI=1S/C23H23N7S/c1-14-9-26-21(31-14)13-30-16-8-17(30)12-29(11-16)20-7-6-15(10-25-20)23-27-19-5-3-2-4-18(19)22(24)28-23/h2-7,9-10,16-17H,8,11-13H2,1H3,(H2,24,27,28)
InChIKeyXEVBIEQAVNOJHE-UHFFFAOYSA-N
XLogP3.50
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine (CID 155725193) is 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine is Cc1cnc(CN2C3CC2CN(c2ccc(-c4nc(N)c5ccccc5n4)cn2)C3)s1.
What is the InChIKey of 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine?
The InChIKey is XEVBIEQAVNOJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7S/c1-14-9-26-21(31-14)13-30-16-8-17(30)12-29(11-16)20-7-6-15(10-25-20)23-27-19-5-3-2-4-18(19)22(24)28-23/h2-7,9-10,16-17H,8,11-13H2,1H3,(H2,24,27,28).
What are the key properties of 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine?
2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine has a molecular weight of 429.55 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-[(5-methyl-1,3-thiazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 155725193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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