[(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol

C13H20N4OS — CID 71935841

IUPAC[(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol
SMILESCC(C)(C)c1cn2nc(N3CCC[C@@H]3CO)sc2n1
InChIInChI=1S/C13H20N4OS/c1-13(2,3)10-7-17-11(14-10)19-12(15-17)16-6-4-5-9(16)8-18/h7,9,18H,4-6,8H2,1-3H3/t9-/m1/s1
InChIKeyJHCQYLBIYAQJSG-SECBINFHSA-N
MW280.40 g/mol
LogP2.05
Rot. Bonds2

About [(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol

[(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol (PubChem CID 71935841) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is [(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol
PubChem CID71935841
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name[(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol
SMILESCC(C)(C)c1cn2nc(N3CCC[C@@H]3CO)sc2n1
InChIInChI=1S/C13H20N4OS/c1-13(2,3)10-7-17-11(14-10)19-12(15-17)16-6-4-5-9(16)8-18/h7,9,18H,4-6,8H2,1-3H3/t9-/m1/s1
InChIKeyJHCQYLBIYAQJSG-SECBINFHSA-N
XLogP2.05
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-tert-butyl-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 95305570
[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55545351
6-tert-butyl-2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 97262688
6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 95342986
6-tert-butyl-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133279262
tert-butyl N-[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395518
6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133387898
6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 133279862
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
1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 98761901
N-cyclopropyl-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 47279938
6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 31046288

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol (CID 71935841) is [(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol is CC(C)(C)c1cn2nc(N3CCC[C@@H]3CO)sc2n1.
What is the InChIKey of [(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol?
The InChIKey is JHCQYLBIYAQJSG-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-13(2,3)10-7-17-11(14-10)19-12(15-17)16-6-4-5-9(16)8-18/h7,9,18H,4-6,8H2,1-3H3/t9-/m1/s1.
What are the key properties of [(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol?
[(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol has a molecular weight of 280.40 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 71935841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).