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

C18H27N5OS — CID 55545351

IUPAC[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)c1cn2nc(N3CCC(C(=O)N4CCCC4)CC3)sc2n1
InChIInChI=1S/C18H27N5OS/c1-18(2,3)14-12-23-16(19-14)25-17(20-23)22-10-6-13(7-11-22)15(24)21-8-4-5-9-21/h12-13H,4-11H2,1-3H3
InChIKeyDTYGXTZXZUCVRQ-UHFFFAOYSA-N
MW361.52 g/mol
LogP2.93
Rot. Bonds2

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

[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 55545351) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID55545351
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC Name[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)c1cn2nc(N3CCC(C(=O)N4CCCC4)CC3)sc2n1
InChIInChI=1S/C18H27N5OS/c1-18(2,3)14-12-23-16(19-14)25-17(20-23)22-10-6-13(7-11-22)15(24)21-8-4-5-9-21/h12-13H,4-11H2,1-3H3
InChIKeyDTYGXTZXZUCVRQ-UHFFFAOYSA-N
XLogP2.93
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25493886
6-tert-butyl-2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 97262688
6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 133279862
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 20906770
[(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol
CID 71935841
[4-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499161
(4-methyl-1,4-diazepan-1-yl)-[1-[6-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanone
CID 135186598
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20906766
1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120964000
ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate
CID 30756005
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-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 95305570

Frequently Asked Questions

What is the IUPAC name of [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 55545351) is [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is CC(C)(C)c1cn2nc(N3CCC(C(=O)N4CCCC4)CC3)sc2n1.
What is the InChIKey of [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DTYGXTZXZUCVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-18(2,3)14-12-23-16(19-14)25-17(20-23)22-10-6-13(7-11-22)15(24)21-8-4-5-9-21/h12-13H,4-11H2,1-3H3.
What are the key properties of [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 361.52 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 55545351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).