4-[(5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclohexan-1-ol

C16H18N4OS — CID 58285839

IUPAC4-[(5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nn3c(-c4ccccc4)cnc3s2)CC1
InChIInChI=1S/C16H18N4OS/c21-13-8-6-12(7-9-13)18-15-19-20-14(10-17-16(20)22-15)11-4-2-1-3-5-11/h1-5,10,12-13,21H,6-9H2,(H,18,19)
InChIKeyZKAIVRLDSMHWFO-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.17
Rot. Bonds3

About 4-[(5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclohexan-1-ol

4-[(5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclohexan-1-ol (PubChem CID 58285839) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[(5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclohexan-1-ol
PubChem CID58285839
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name4-[(5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nn3c(-c4ccccc4)cnc3s2)CC1
InChIInChI=1S/C16H18N4OS/c21-13-8-6-12(7-9-13)18-15-19-20-14(10-17-16(20)22-15)11-4-2-1-3-5-11/h1-5,10,12-13,21H,6-9H2,(H,18,19)
InChIKeyZKAIVRLDSMHWFO-UHFFFAOYSA-N
XLogP3.17
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclohexan-1-ol (CID 58285839) is 4-[(5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2nn3c(-c4ccccc4)cnc3s2)CC1.
What is the InChIKey of 4-[(5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclohexan-1-ol?
The InChIKey is ZKAIVRLDSMHWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c21-13-8-6-12(7-9-13)18-15-19-20-14(10-17-16(20)22-15)11-4-2-1-3-5-11/h1-5,10,12-13,21H,6-9H2,(H,18,19).
What are the key properties of 4-[(5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclohexan-1-ol?
4-[(5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclohexan-1-ol has a molecular weight of 314.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 58285839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).