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

C20H21N7O4S — CID 138607181

IUPACN-[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
SMILESCOc1cccc(-c2nc3occn3c2-c2ccnc(NCCN3CCNS3(=O)=O)n2)c1
InChIInChI=1S/C20H21N7O4S/c1-30-15-4-2-3-14(13-15)17-18(27-11-12-31-20(27)25-17)16-5-6-21-19(24-16)22-7-9-26-10-8-23-32(26,28)29/h2-6,11-13,23H,7-10H2,1H3,(H,21,22,24)
InChIKeyGQILOGXHJVIPFD-UHFFFAOYSA-N
MW455.50 g/mol
LogP1.62
Rot. Bonds7

About 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

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 (PubChem CID 138607181) has the molecular formula C20H21N7O4S and a molecular weight of 455.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID138607181
Molecular FormulaC20H21N7O4S
Molecular Weight455.50 g/mol
Exact Mass455.14
IUPAC NameN-[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
SMILESCOc1cccc(-c2nc3occn3c2-c2ccnc(NCCN3CCNS3(=O)=O)n2)c1
InChIInChI=1S/C20H21N7O4S/c1-30-15-4-2-3-14(13-15)17-18(27-11-12-31-20(27)25-17)16-5-6-21-19(24-16)22-7-9-26-10-8-23-32(26,28)29/h2-6,11-13,23H,7-10H2,1H3,(H,21,22,24)
InChIKeyGQILOGXHJVIPFD-UHFFFAOYSA-N
XLogP1.62
TPSA126.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine
CID 138631859
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
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
4-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[3-(4-methoxyphenyl)sulfonylpropyl]pyrimidin-2-amine
CID 157126394
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
N-[3-(benzenesulfonyl)propyl]-4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 158265657
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
4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 71655715

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(-c2nc3occn3c2-c2ccnc(NCCN3CCNS3(=O)=O)n2)c1.
What is the InChIKey of 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?
The InChIKey is GQILOGXHJVIPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O4S/c1-30-15-4-2-3-14(13-15)17-18(27-11-12-31-20(27)25-17)16-5-6-21-19(24-16)22-7-9-26-10-8-23-32(26,28)29/h2-6,11-13,23H,7-10H2,1H3,(H,21,22,24).
What are the key properties of 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?
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 has a molecular weight of 455.50 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138607181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).