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

C17H18FN7OS — CID 146418417

IUPAC[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-imidazolidin-1-ylmethanone
SMILESCc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)N3CCNC3)c2s1
InChIInChI=1S/C17H18FN7OS/c1-9(11-5-12(18)7-20-6-11)21-17-23-13(16(26)25-4-3-19-8-25)14-15(24-17)22-10(2)27-14/h5-7,9,19H,3-4,8H2,1-2H3,(H,21,23,24)
InChIKeyGLNCREOLEUEPSY-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.10
Rot. Bonds4

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

[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-imidazolidin-1-ylmethanone (PubChem CID 146418417) has the molecular formula C17H18FN7OS and a molecular weight of 387.44 g/mol. Its IUPAC name is [5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-imidazolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-imidazolidin-1-ylmethanone
PubChem CID146418417
Molecular FormulaC17H18FN7OS
Molecular Weight387.44 g/mol
Exact Mass387.13
IUPAC Name[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-imidazolidin-1-ylmethanone
SMILESCc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)N3CCNC3)c2s1
InChIInChI=1S/C17H18FN7OS/c1-9(11-5-12(18)7-20-6-11)21-17-23-13(16(26)25-4-3-19-8-25)14-15(24-17)22-10(2)27-14/h5-7,9,19H,3-4,8H2,1-2H3,(H,21,23,24)
InChIKeyGLNCREOLEUEPSY-UHFFFAOYSA-N
XLogP2.10
TPSA95.93 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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-imidazolidin-1-ylmethanone?
The IUPAC name of [5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-imidazolidin-1-ylmethanone (CID 146418417) is [5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-imidazolidin-1-ylmethanone.
What is the SMILES notation for [5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-imidazolidin-1-ylmethanone?
The canonical SMILES for [5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-imidazolidin-1-ylmethanone is Cc1nc2nc(NC(C)c3cncc(F)c3)nc(C(=O)N3CCNC3)c2s1.
What is the InChIKey of [5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-imidazolidin-1-ylmethanone?
The InChIKey is GLNCREOLEUEPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7OS/c1-9(11-5-12(18)7-20-6-11)21-17-23-13(16(26)25-4-3-19-8-25)14-15(24-17)22-10(2)27-14/h5-7,9,19H,3-4,8H2,1-2H3,(H,21,23,24).
What are the key properties of [5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-imidazolidin-1-ylmethanone?
[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-imidazolidin-1-ylmethanone has a molecular weight of 387.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-imidazolidin-1-ylmethanone is sourced from PubChem (CID 146418417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).