3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol

C12H12N4OS — CID 47293073

IUPAC3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol
SMILESCc1cn2nc(NCc3cccc(O)c3)sc2n1
InChIInChI=1S/C12H12N4OS/c1-8-7-16-12(14-8)18-11(15-16)13-6-9-3-2-4-10(17)5-9/h2-5,7,17H,6H2,1H3,(H,13,15)
InChIKeyBUFLNNNFXOGEFO-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.42
Rot. Bonds3

About 3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol

3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol (PubChem CID 47293073) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol
PubChem CID47293073
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol
SMILESCc1cn2nc(NCc3cccc(O)c3)sc2n1
InChIInChI=1S/C12H12N4OS/c1-8-7-16-12(14-8)18-11(15-16)13-6-9-3-2-4-10(17)5-9/h2-5,7,17H,6H2,1H3,(H,13,15)
InChIKeyBUFLNNNFXOGEFO-UHFFFAOYSA-N
XLogP2.42
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol?
The IUPAC name of 3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol (CID 47293073) is 3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol is Cc1cn2nc(NCc3cccc(O)c3)sc2n1.
What is the InChIKey of 3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol?
The InChIKey is BUFLNNNFXOGEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-8-7-16-12(14-8)18-11(15-16)13-6-9-3-2-4-10(17)5-9/h2-5,7,17H,6H2,1H3,(H,13,15).
What are the key properties of 3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol?
3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol has a molecular weight of 260.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol is sourced from PubChem (CID 47293073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).