1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one

C16H23N5OS — CID 95758361

IUPAC1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1nn2cc(C)nc2s1
InChIInChI=1S/C16H23N5OS/c1-3-14(22)19-8-4-6-12(19)13-7-5-9-20(13)16-18-21-10-11(2)17-15(21)23-16/h10,12-13H,3-9H2,1-2H3/t12-,13-/m1/s1
InChIKeyFBGXJOFOZPLFTN-CHWSQXEVSA-N
MW333.46 g/mol
LogP2.47
Rot. Bonds3

About 1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one

1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 95758361) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID95758361
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1nn2cc(C)nc2s1
InChIInChI=1S/C16H23N5OS/c1-3-14(22)19-8-4-6-12(19)13-7-5-9-20(13)16-18-21-10-11(2)17-15(21)23-16/h10,12-13H,3-9H2,1-2H3/t12-,13-/m1/s1
InChIKeyFBGXJOFOZPLFTN-CHWSQXEVSA-N
XLogP2.47
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 95758361) is 1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1nn2cc(C)nc2s1.
What is the InChIKey of 1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is FBGXJOFOZPLFTN-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-3-14(22)19-8-4-6-12(19)13-7-5-9-20(13)16-18-21-10-11(2)17-15(21)23-16/h10,12-13H,3-9H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 333.46 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95758361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).