[4-amino-1-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanol

C15H23N5OS — CID 99856781

IUPAC[4-amino-1-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanol
SMILESNC1(CO)CCN(c2nn3cc(C4CCCC4)nc3s2)CC1
InChIInChI=1S/C15H23N5OS/c16-15(10-21)5-7-19(8-6-15)14-18-20-9-12(17-13(20)22-14)11-3-1-2-4-11/h9,11,21H,1-8,10,16H2
InChIKeyJTVSISCZVJYZGX-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.74
Rot. Bonds3

About [4-amino-1-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanol

[4-amino-1-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanol (PubChem CID 99856781) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is [4-amino-1-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-amino-1-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanol
PubChem CID99856781
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name[4-amino-1-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanol
SMILESNC1(CO)CCN(c2nn3cc(C4CCCC4)nc3s2)CC1
InChIInChI=1S/C15H23N5OS/c16-15(10-21)5-7-19(8-6-15)14-18-20-9-12(17-13(20)22-14)11-3-1-2-4-11/h9,11,21H,1-8,10,16H2
InChIKeyJTVSISCZVJYZGX-UHFFFAOYSA-N
XLogP1.74
TPSA79.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-amino-1-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [4-amino-1-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanol (CID 99856781) is [4-amino-1-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-amino-1-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [4-amino-1-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanol is NC1(CO)CCN(c2nn3cc(C4CCCC4)nc3s2)CC1.
What is the InChIKey of [4-amino-1-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanol?
The InChIKey is JTVSISCZVJYZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c16-15(10-21)5-7-19(8-6-15)14-18-20-9-12(17-13(20)22-14)11-3-1-2-4-11/h9,11,21H,1-8,10,16H2.
What are the key properties of [4-amino-1-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanol?
[4-amino-1-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanol has a molecular weight of 321.45 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 99856781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).