2-[1-(1,2-oxazol-3-yl)-3-pyridazin-3-yl-4-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole

C27H18N10O2S3 — CID 141128881

IUPAC2-[1-(1,2-oxazol-3-yl)-3-pyridazin-3-yl-4-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole
SMILESc1cnc(C2(c3ccsn3)C(c3nccs3)N(c3ccon3)C(c3ncco3)(c3cccs3)N2c2cccnn2)nc1
InChIInChI=1S/C27H18N10O2S3/c1-5-20(33-32-10-1)37-26(18-7-16-42-35-18,24-29-8-3-9-30-24)22(23-28-12-17-41-23)36(21-6-13-39-34-21)27(37,19-4-2-15-40-19)25-31-11-14-38-25/h1-17,22H
InChIKeyACLNPKQCLZVDCF-UHFFFAOYSA-N
MW610.71 g/mol
LogP5.13
Rot. Bonds7

About 2-[1-(1,2-oxazol-3-yl)-3-pyridazin-3-yl-4-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole

2-[1-(1,2-oxazol-3-yl)-3-pyridazin-3-yl-4-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole (PubChem CID 141128881) has the molecular formula C27H18N10O2S3 and a molecular weight of 610.71 g/mol. Its IUPAC name is 2-[1-(1,2-oxazol-3-yl)-3-pyridazin-3-yl-4-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(1,2-oxazol-3-yl)-3-pyridazin-3-yl-4-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole
PubChem CID141128881
Molecular FormulaC27H18N10O2S3
Molecular Weight610.71 g/mol
Exact Mass610.08
IUPAC Name2-[1-(1,2-oxazol-3-yl)-3-pyridazin-3-yl-4-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole
SMILESc1cnc(C2(c3ccsn3)C(c3nccs3)N(c3ccon3)C(c3ncco3)(c3cccs3)N2c2cccnn2)nc1
InChIInChI=1S/C27H18N10O2S3/c1-5-20(33-32-10-1)37-26(18-7-16-42-35-18,24-29-8-3-9-30-24)22(23-28-12-17-41-23)36(21-6-13-39-34-21)27(37,19-4-2-15-40-19)25-31-11-14-38-25/h1-17,22H
InChIKeyACLNPKQCLZVDCF-UHFFFAOYSA-N
XLogP5.13
TPSA135.88 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500610.71
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[1-(1,2-oxazol-3-yl)-3-pyridazin-3-yl-4-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole with MolForge

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Related Compounds

2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole
CID 140981688
2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole
CID 141008871
2-[6-(1,2-Oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yltriazin-1-yl]-1,3-oxazole
CID 141019118
4-[5-(1,2-Oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-thiophen-2-ylimidazolidin-2-yl]oxadiazole
CID 141422634
2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole
CID 141429361
4-Tert-butyl-1,5-dimethyltriazole;5-tert-butyl-1,4-dimethyltriazole;2-tert-butylpyrimidine;cumene;ethane;furan;1-methylimidazole;hexadecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yltetrazole;pyridine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
CID 157206232
2,4-Dimethylfuran;2,4-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;bis(1,2,4-trimethylpyrrole);2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole
CID 157346164
Benzene;1-tert-butylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1,3-ditert-butyl-5-methyl-1,2,4-triazole;1,4-ditert-butyl-5-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3,4-thiadiazole;tetrakis(2,2-dimethylpropane);ethane;furan;1-methylimidazole;(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,2-thiazole;1,3-thiazole;thiophene
CID 157465566
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;3-tert-butyl-1,2,5-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;5-tert-butyl-3H-pyrazole;1-tert-butylpyrrole;2-tert-butyl-2H-pyrrole;2-tert-butyl-3H-pyrrole;bis(3-tert-butyl-2H-pyrrole);bis(4-tert-butyl-2H-pyrrole);5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;3-tert-butyl-1,2,5-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole
CID 157786990
1-Tert-butylimidazole;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;3-tert-butylthiophene;ethane
CID 157809972
2,4-Dimethylfuran;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethylthiophene;ethane;methane;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole
CID 157846618
2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;4-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-thiadiazole;4-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;ethane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine;6-propan-2-yl-1,2,4-triazine
CID 158057612

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-oxazol-3-yl)-3-pyridazin-3-yl-4-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[1-(1,2-oxazol-3-yl)-3-pyridazin-3-yl-4-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole (CID 141128881) is 2-[1-(1,2-oxazol-3-yl)-3-pyridazin-3-yl-4-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-(1,2-oxazol-3-yl)-3-pyridazin-3-yl-4-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-(1,2-oxazol-3-yl)-3-pyridazin-3-yl-4-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole is c1cnc(C2(c3ccsn3)C(c3nccs3)N(c3ccon3)C(c3ncco3)(c3cccs3)N2c2cccnn2)nc1.
What is the InChIKey of 2-[1-(1,2-oxazol-3-yl)-3-pyridazin-3-yl-4-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole?
The InChIKey is ACLNPKQCLZVDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N10O2S3/c1-5-20(33-32-10-1)37-26(18-7-16-42-35-18,24-29-8-3-9-30-24)22(23-28-12-17-41-23)36(21-6-13-39-34-21)27(37,19-4-2-15-40-19)25-31-11-14-38-25/h1-17,22H.
What are the key properties of 2-[1-(1,2-oxazol-3-yl)-3-pyridazin-3-yl-4-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole?
2-[1-(1,2-oxazol-3-yl)-3-pyridazin-3-yl-4-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole has a molecular weight of 610.71 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-oxazol-3-yl)-3-pyridazin-3-yl-4-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 141128881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).