5-[5-[2-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol

C21H22FN7O3S2 — CID 146538888

IUPAC5-[5-[2-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol
SMILESCCN1CCN(CCNc2nccc(-c3c(-c4ccc(F)c(O)c4)nc4sccn34)n2)S1(=O)=O
InChIInChI=1S/C21H22FN7O3S2/c1-2-27-9-10-28(34(27,31)32)8-7-24-20-23-6-5-16(25-20)19-18(26-21-29(19)11-12-33-21)14-3-4-15(22)17(30)13-14/h3-6,11-13,30H,2,7-10H2,1H3,(H,23,24,25)
InChIKeyBARRZGQMKZYTJV-UHFFFAOYSA-N
MW503.59 g/mol
LogP2.66
Rot. Bonds7

About 5-[5-[2-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol

5-[5-[2-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol (PubChem CID 146538888) has the molecular formula C21H22FN7O3S2 and a molecular weight of 503.59 g/mol. Its IUPAC name is 5-[5-[2-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol.

Molecular Properties

Compound Name5-[5-[2-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol
PubChem CID146538888
Molecular FormulaC21H22FN7O3S2
Molecular Weight503.59 g/mol
Exact Mass503.12
IUPAC Name5-[5-[2-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol
SMILESCCN1CCN(CCNc2nccc(-c3c(-c4ccc(F)c(O)c4)nc4sccn34)n2)S1(=O)=O
InChIInChI=1S/C21H22FN7O3S2/c1-2-27-9-10-28(34(27,31)32)8-7-24-20-23-6-5-16(25-20)19-18(26-21-29(19)11-12-33-21)14-3-4-15(22)17(30)13-14/h3-6,11-13,30H,2,7-10H2,1H3,(H,23,24,25)
InChIKeyBARRZGQMKZYTJV-UHFFFAOYSA-N
XLogP2.66
TPSA115.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.59
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[5-[2-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol with MolForge

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Related Compounds

4-fluoro-N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 138607174
4-fluoro-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 138607220
3-[5-[2-[2-(5-Methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138631875
N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzamide
CID 56649601
3-fluoro-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 166633540
4-fluoro-N-[3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 138607151
3-fluoro-N-[3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 138607152
3-fluoro-N-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 138607165
4-fluoro-N-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 138607173
4-methoxy-N-[3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 138607176
N-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-4-methylbenzenesulfonamide
CID 138607178
N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-4-methylbenzenesulfonamide
CID 138607188

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol?
The IUPAC name of 5-[5-[2-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol (CID 146538888) is 5-[5-[2-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol.
What is the SMILES notation for 5-[5-[2-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol?
The canonical SMILES for 5-[5-[2-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol is CCN1CCN(CCNc2nccc(-c3c(-c4ccc(F)c(O)c4)nc4sccn34)n2)S1(=O)=O.
What is the InChIKey of 5-[5-[2-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol?
The InChIKey is BARRZGQMKZYTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7O3S2/c1-2-27-9-10-28(34(27,31)32)8-7-24-20-23-6-5-16(25-20)19-18(26-21-29(19)11-12-33-21)14-3-4-15(22)17(30)13-14/h3-6,11-13,30H,2,7-10H2,1H3,(H,23,24,25).
What are the key properties of 5-[5-[2-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol?
5-[5-[2-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol has a molecular weight of 503.59 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol is sourced from PubChem (CID 146538888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).