(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

C16H19N7O2S — CID 89479159

IUPAC(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
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn3ncsc3n2)n1
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)/t10-,12+/m0/s1
InChIKeyMOQPPMDZZVFJDJ-CMPLNLGQSA-N
MW373.44 g/mol
LogP2.74
Rot. Bonds5

About (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

(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 (PubChem CID 89479159) has the molecular formula C16H19N7O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID89479159
Molecular FormulaC16H19N7O2S
Molecular Weight373.44 g/mol
Exact Mass373.13
IUPAC Name(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
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn3ncsc3n2)n1
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)/t10-,12+/m0/s1
InChIKeyMOQPPMDZZVFJDJ-CMPLNLGQSA-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 (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 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-[[(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
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-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
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 130273049
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
(4S)-3-[2-[[(1R)-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 130273289
3-[2-[[(1R)-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 130273291
(4S)-3-[2-[[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130273455
3-[2-[[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130273457

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn3ncsc3n2)n1.
What is the InChIKey of (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?
The InChIKey is MOQPPMDZZVFJDJ-CMPLNLGQSA-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)/t10-,12+/m0/s1.
What are the key properties of (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?
(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 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 (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 is sourced from PubChem (CID 89479159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).