4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol

C16H17FN4OS — CID 67221061

IUPAC4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nn3cc(-c4cccc(F)c4)nc3s2)CC1
InChIInChI=1S/C16H17FN4OS/c17-11-3-1-2-10(8-11)14-9-21-16(19-14)23-15(20-21)18-12-4-6-13(22)7-5-12/h1-3,8-9,12-13,22H,4-7H2,(H,18,20)
InChIKeyGTKCFGOIAFTFLG-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.31
Rot. Bonds3

About 4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol

4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol (PubChem CID 67221061) has the molecular formula C16H17FN4OS and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
PubChem CID67221061
Molecular FormulaC16H17FN4OS
Molecular Weight332.40 g/mol
Exact Mass332.11
IUPAC Name4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nn3cc(-c4cccc(F)c4)nc3s2)CC1
InChIInChI=1S/C16H17FN4OS/c17-11-3-1-2-10(8-11)14-9-21-16(19-14)23-15(20-21)18-12-4-6-13(22)7-5-12/h1-3,8-9,12-13,22H,4-7H2,(H,18,20)
InChIKeyGTKCFGOIAFTFLG-UHFFFAOYSA-N
XLogP3.31
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol (CID 67221061) is 4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nn3cc(-c4cccc(F)c4)nc3s2)CC1.
What is the InChIKey of 4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
The InChIKey is GTKCFGOIAFTFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4OS/c17-11-3-1-2-10(8-11)14-9-21-16(19-14)23-15(20-21)18-12-4-6-13(22)7-5-12/h1-3,8-9,12-13,22H,4-7H2,(H,18,20).
What are the key properties of 4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol?
4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol has a molecular weight of 332.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 67221061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).