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

C17H20N6O2S — CID 89478988

IUPAC(4S)-3-[2-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn3ccsc3n2)n1
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+/m0/s1
InChIKeySIOKSJUACLFGPZ-WCQYABFASA-N
MW372.45 g/mol
LogP3.34
Rot. Bonds5

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

(4S)-3-[2-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 89478988) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID89478988
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name(4S)-3-[2-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn3ccsc3n2)n1
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+/m0/s1
InChIKeySIOKSJUACLFGPZ-WCQYABFASA-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-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-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 90347624
(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
(4S)-3-[2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489923
(4S)-4-propan-2-yl-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90347635
3-[2-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89478989
(4S)-3-[2-[[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479159
(4S)-3-[2-[[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-5-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479160
3-[2-[[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479161
(4S)-4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90343122
4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90343123
4-propan-2-yl-3-[2-[[(1S)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90343286
(4S)-3-[2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90343800

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 89478988) is (4S)-3-[2-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn3ccsc3n2)n1.
What is the InChIKey of (4S)-3-[2-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is SIOKSJUACLFGPZ-WCQYABFASA-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+/m0/s1.
What are the key properties of (4S)-3-[2-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]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-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89478988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).