3-[2-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C16H19N7O2S — CID 130273065

IUPAC3-[2-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OCC2C(C)C)n1)c1cn2ncsc2n1
InChIInChI=1S/C16H19N7O2S/c1-9(2)12-7-25-16(24)23(12)13-4-5-17-14(21-13)19-10(3)11-6-22-15(20-11)26-8-18-22/h4-6,8-10,12H,7H2,1-3H3,(H,17,19,21)
InChIKeyMOQPPMDZZVFJDJ-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.74
Rot. Bonds5

About 3-[2-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[2-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 130273065) has the molecular formula C16H19N7O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is 3-[2-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID130273065
Molecular FormulaC16H19N7O2S
Molecular Weight373.44 g/mol
Exact Mass373.13
IUPAC Name3-[2-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OCC2C(C)C)n1)c1cn2ncsc2n1
InChIInChI=1S/C16H19N7O2S/c1-9(2)12-7-25-16(24)23(12)13-4-5-17-14(21-13)19-10(3)11-6-22-15(20-11)26-8-18-22/h4-6,8-10,12H,7H2,1-3H3,(H,17,19,21)
InChIKeyMOQPPMDZZVFJDJ-UHFFFAOYSA-N
XLogP2.74
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[2-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 130273065) is 3-[2-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OCC2C(C)C)n1)c1cn2ncsc2n1.
What is the InChIKey of 3-[2-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is MOQPPMDZZVFJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2S/c1-9(2)12-7-25-16(24)23(12)13-4-5-17-14(21-13)19-10(3)11-6-22-15(20-11)26-8-18-22/h4-6,8-10,12H,7H2,1-3H3,(H,17,19,21).
What are the key properties of 3-[2-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[2-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 373.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 130273065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).