4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol

C16H18N4OS — CID 58285765

IUPAC4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol
SMILESOc1ccc(-c2cnc3sc(NC4CCCCC4)nn23)cc1
InChIInChI=1S/C16H18N4OS/c21-13-8-6-11(7-9-13)14-10-17-16-20(14)19-15(22-16)18-12-4-2-1-3-5-12/h6-10,12,21H,1-5H2,(H,18,19)
InChIKeyCDMSUMPDCNIYMR-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.91
Rot. Bonds3

About 4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol

4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol (PubChem CID 58285765) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol
PubChem CID58285765
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol
SMILESOc1ccc(-c2cnc3sc(NC4CCCCC4)nn23)cc1
InChIInChI=1S/C16H18N4OS/c21-13-8-6-11(7-9-13)14-10-17-16-20(14)19-15(22-16)18-12-4-2-1-3-5-12/h6-10,12,21H,1-5H2,(H,18,19)
InChIKeyCDMSUMPDCNIYMR-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol?
The IUPAC name of 4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol (CID 58285765) is 4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol.
What is the SMILES notation for 4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol?
The canonical SMILES for 4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol is Oc1ccc(-c2cnc3sc(NC4CCCCC4)nn23)cc1.
What is the InChIKey of 4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol?
The InChIKey is CDMSUMPDCNIYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c21-13-8-6-11(7-9-13)14-10-17-16-20(14)19-15(22-16)18-12-4-2-1-3-5-12/h6-10,12,21H,1-5H2,(H,18,19).
What are the key properties of 4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol?
4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol has a molecular weight of 314.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol is sourced from PubChem (CID 58285765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).