3-[5-[2-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol

C19H19N7O4S — CID 138607219

IUPAC3-[5-[2-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol
SMILESO=S1(=O)NCCN1CCNc1nccc(-c2c(-c3cccc(O)c3)nc3occn23)n1
InChIInChI=1S/C19H19N7O4S/c27-14-3-1-2-13(12-14)16-17(26-10-11-30-19(26)24-16)15-4-5-20-18(23-15)21-6-8-25-9-7-22-31(25,28)29/h1-5,10-12,22,27H,6-9H2,(H,20,21,23)
InChIKeyCLPNNOZSWPJTIZ-UHFFFAOYSA-N
MW441.47 g/mol
LogP1.32
Rot. Bonds6

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

3-[5-[2-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol (PubChem CID 138607219) has the molecular formula C19H19N7O4S and a molecular weight of 441.47 g/mol. Its IUPAC name is 3-[5-[2-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol.

Molecular Properties

Compound Name3-[5-[2-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol
PubChem CID138607219
Molecular FormulaC19H19N7O4S
Molecular Weight441.47 g/mol
Exact Mass441.12
IUPAC Name3-[5-[2-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol
SMILESO=S1(=O)NCCN1CCNc1nccc(-c2c(-c3cccc(O)c3)nc3occn23)n1
InChIInChI=1S/C19H19N7O4S/c27-14-3-1-2-13(12-14)16-17(26-10-11-30-19(26)24-16)15-4-5-20-18(23-15)21-6-8-25-9-7-22-31(25,28)29/h1-5,10-12,22,27H,6-9H2,(H,20,21,23)
InChIKeyCLPNNOZSWPJTIZ-UHFFFAOYSA-N
XLogP1.32
TPSA137.89 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine
CID 138607181
tert-butyl 6-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethyl]-1,1-dioxo-1,2,6-thiadiazinane-2-carboxylate
CID 138607187
3-[5-[2-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]-2-ethynoxy-1-methylimidazol-4-yl]phenol
CID 156569518
3-[5-[2-[2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol
CID 142741768
N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine
CID 138631865
4-bromo-N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 155927058
5-[5-[2-[2-(5-ethyl-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol
CID 156569938
3-[5-[2-[2-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethylimino]-5,6-dihydro-1H-pyrimidin-6-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol
CID 156569645
5-[5-[2-[3-(benzenesulfonyl)propylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]-2-fluorophenol
CID 159024006
6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol
CID 58541626
4-fluoro-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 145437326
4-methoxy-N-[3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 139308300

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol?
The IUPAC name of 3-[5-[2-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol (CID 138607219) is 3-[5-[2-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol.
What is the SMILES notation for 3-[5-[2-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol?
The canonical SMILES for 3-[5-[2-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol is O=S1(=O)NCCN1CCNc1nccc(-c2c(-c3cccc(O)c3)nc3occn23)n1.
What is the InChIKey of 3-[5-[2-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol?
The InChIKey is CLPNNOZSWPJTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O4S/c27-14-3-1-2-13(12-14)16-17(26-10-11-30-19(26)24-16)15-4-5-20-18(23-15)21-6-8-25-9-7-22-31(25,28)29/h1-5,10-12,22,27H,6-9H2,(H,20,21,23).
What are the key properties of 3-[5-[2-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol?
3-[5-[2-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol has a molecular weight of 441.47 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol is sourced from PubChem (CID 138607219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).