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

C17H20N4OS — CID 58285548

IUPAC[2-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol
SMILESOCc1ccccc1-c1cnc2sc(NC3CCCCC3)nn12
InChIInChI=1S/C17H20N4OS/c22-11-12-6-4-5-9-14(12)15-10-18-17-21(15)20-16(23-17)19-13-7-2-1-3-8-13/h4-6,9-10,13,22H,1-3,7-8,11H2,(H,19,20)
InChIKeyGCPBTZAEJYRJFD-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.69
Rot. Bonds4

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

[2-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol (PubChem CID 58285548) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is [2-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol
PubChem CID58285548
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name[2-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol
SMILESOCc1ccccc1-c1cnc2sc(NC3CCCCC3)nn12
InChIInChI=1S/C17H20N4OS/c22-11-12-6-4-5-9-14(12)15-10-18-17-21(15)20-16(23-17)19-13-7-2-1-3-8-13/h4-6,9-10,13,22H,1-3,7-8,11H2,(H,19,20)
InChIKeyGCPBTZAEJYRJFD-UHFFFAOYSA-N
XLogP3.69
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol?
The IUPAC name of [2-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol (CID 58285548) is [2-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol.
What is the SMILES notation for [2-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol?
The canonical SMILES for [2-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol is OCc1ccccc1-c1cnc2sc(NC3CCCCC3)nn12.
What is the InChIKey of [2-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol?
The InChIKey is GCPBTZAEJYRJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c22-11-12-6-4-5-9-14(12)15-10-18-17-21(15)20-16(23-17)19-13-7-2-1-3-8-13/h4-6,9-10,13,22H,1-3,7-8,11H2,(H,19,20).
What are the key properties of [2-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol?
[2-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol has a molecular weight of 328.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol is sourced from PubChem (CID 58285548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).