(3-aminoazetidin-1-yl)-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone

C17H18FN7OS — CID 146418462

IUPAC(3-aminoazetidin-1-yl)-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone
SMILESCc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)N3CC(N)C3)c2s1
InChIInChI=1S/C17H18FN7OS/c1-8(10-3-11(18)5-20-4-10)21-17-23-13(16(26)25-6-12(19)7-25)14-15(24-17)22-9(2)27-14/h3-5,8,12H,6-7,19H2,1-2H3,(H,21,23,24)
InChIKeyWLIBWKZGSBLQLQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.89
Rot. Bonds4

About (3-aminoazetidin-1-yl)-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone

(3-aminoazetidin-1-yl)-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone (PubChem CID 146418462) has the molecular formula C17H18FN7OS and a molecular weight of 387.44 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone
PubChem CID146418462
Molecular FormulaC17H18FN7OS
Molecular Weight387.44 g/mol
Exact Mass387.13
IUPAC Name(3-aminoazetidin-1-yl)-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone
SMILESCc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)N3CC(N)C3)c2s1
InChIInChI=1S/C17H18FN7OS/c1-8(10-3-11(18)5-20-4-10)21-17-23-13(16(26)25-6-12(19)7-25)14-15(24-17)22-9(2)27-14/h3-5,8,12H,6-7,19H2,1-2H3,(H,21,23,24)
InChIKeyWLIBWKZGSBLQLQ-UHFFFAOYSA-N
XLogP1.89
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone (CID 146418462) is (3-aminoazetidin-1-yl)-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone is Cc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)N3CC(N)C3)c2s1.
What is the InChIKey of (3-aminoazetidin-1-yl)-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone?
The InChIKey is WLIBWKZGSBLQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7OS/c1-8(10-3-11(18)5-20-4-10)21-17-23-13(16(26)25-6-12(19)7-25)14-15(24-17)22-9(2)27-14/h3-5,8,12H,6-7,19H2,1-2H3,(H,21,23,24).
What are the key properties of (3-aminoazetidin-1-yl)-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone?
(3-aminoazetidin-1-yl)-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone has a molecular weight of 387.44 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 146418462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).