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 89479161

IUPAC3-[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)C1COC(=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-NUHJPDEHSA-N
MW373.44 g/mol
LogP2.74
Rot. Bonds5

About 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

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 89479161) has the molecular formula C16H19N7O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is 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 Name3-[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 CID89479161
Molecular FormulaC16H19N7O2S
Molecular Weight373.44 g/mol
Exact Mass373.13
IUPAC Name3-[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)C1COC(=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-NUHJPDEHSA-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-[[(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

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)-4-propan-2-yl-3-[2-[[(1S)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130274214
4-propan-2-yl-3-[2-[[(1S)-1-pyridin-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 167003976
4-propan-2-yl-3-[2-(1-pyrimidin-2-ylethylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 123238043
(4S)-3-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130273182
3-[2-[1-(1-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130273175
3-[2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130273058
(4S)-4-propan-2-yl-3-[2-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130273448
(4S)-3-[2-[[(1S)-1-[4-(dimethylamino)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489854
(4S)-3-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347644
3-[2-[1-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 123270812
(4S)-3-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 86730222

Frequently Asked Questions

What is the IUPAC name of 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 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) is 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 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 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)C1COC(=O)N1c1ccnc(N[C@@H](C)c2cn3ncsc3n2)n1.
What is the InChIKey of 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-NUHJPDEHSA-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 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?
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 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 89479161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).