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

C17H20N6O2S — CID 89489829

IUPAC(4S)-3-[2-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1cn2ccsc2n1
InChIInChI=1S/C17H20N6O2S/c1-10(2)13-9-25-17(24)23(13)14-4-5-18-15(21-14)19-11(3)12-8-22-6-7-26-16(22)20-12/h4-8,10-11,13H,9H2,1-3H3,(H,18,19,21)/t11?,13-/m1/s1
InChIKeySIOKSJUACLFGPZ-GLGOKHISSA-N
MW372.45 g/mol
LogP3.34
Rot. Bonds5

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

(4S)-3-[2-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 89489829) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is (4S)-3-[2-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID89489829
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name(4S)-3-[2-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1cn2ccsc2n1
InChIInChI=1S/C17H20N6O2S/c1-10(2)13-9-25-17(24)23(13)14-4-5-18-15(21-14)19-11(3)12-8-22-6-7-26-16(22)20-12/h4-8,10-11,13H,9H2,1-3H3,(H,18,19,21)/t11?,13-/m1/s1
InChIKeySIOKSJUACLFGPZ-GLGOKHISSA-N
XLogP3.34
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-3-[2-(1-imidazo[2,1-b][1,3]thiazol-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 (4S)-3-[2-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 89489829) is (4S)-3-[2-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1cn2ccsc2n1.
What is the InChIKey of (4S)-3-[2-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is SIOKSJUACLFGPZ-GLGOKHISSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-10(2)13-9-25-17(24)23(13)14-4-5-18-15(21-14)19-11(3)12-8-22-6-7-26-16(22)20-12/h4-8,10-11,13H,9H2,1-3H3,(H,18,19,21)/t11?,13-/m1/s1.
What are the key properties of (4S)-3-[2-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 372.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-(1-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).