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

C16H18N4OS — CID 42884129

IUPAC[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2nn3cc(-c4ccccc4)nc3s2)C1
InChIInChI=1S/C16H18N4OS/c21-11-12-5-4-8-19(9-12)16-18-20-10-14(17-15(20)22-16)13-6-2-1-3-7-13/h1-3,6-7,10,12,21H,4-5,8-9,11H2
InChIKeyGDIQLPBGENVPEC-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.67
Rot. Bonds3

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

[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]methanol (PubChem CID 42884129) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is [1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]methanol
PubChem CID42884129
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2nn3cc(-c4ccccc4)nc3s2)C1
InChIInChI=1S/C16H18N4OS/c21-11-12-5-4-8-19(9-12)16-18-20-10-14(17-15(20)22-16)13-6-2-1-3-7-13/h1-3,6-7,10,12,21H,4-5,8-9,11H2
InChIKeyGDIQLPBGENVPEC-UHFFFAOYSA-N
XLogP2.67
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]methanol (CID 42884129) is [1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]methanol is OCC1CCCN(c2nn3cc(-c4ccccc4)nc3s2)C1.
What is the InChIKey of [1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]methanol?
The InChIKey is GDIQLPBGENVPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c21-11-12-5-4-8-19(9-12)16-18-20-10-14(17-15(20)22-16)13-6-2-1-3-7-13/h1-3,6-7,10,12,21H,4-5,8-9,11H2.
What are the key properties of [1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]methanol?
[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]methanol has a molecular weight of 314.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 42884129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).