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

C8H12N4OS — CID 130622242

IUPAC2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol
SMILESCc1cn2nc(NC(C)CO)sc2n1
InChIInChI=1S/C8H12N4OS/c1-5-3-12-8(10-5)14-7(11-12)9-6(2)4-13/h3,6,13H,4H2,1-2H3,(H,9,11)
InChIKeyZJGJZSDIKCOARP-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.89
Rot. Bonds3

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

2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol (PubChem CID 130622242) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol
PubChem CID130622242
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol
SMILESCc1cn2nc(NC(C)CO)sc2n1
InChIInChI=1S/C8H12N4OS/c1-5-3-12-8(10-5)14-7(11-12)9-6(2)4-13/h3,6,13H,4H2,1-2H3,(H,9,11)
InChIKeyZJGJZSDIKCOARP-UHFFFAOYSA-N
XLogP0.89
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol?
The IUPAC name of 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol (CID 130622242) is 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol is Cc1cn2nc(NC(C)CO)sc2n1.
What is the InChIKey of 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol?
The InChIKey is ZJGJZSDIKCOARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-5-3-12-8(10-5)14-7(11-12)9-6(2)4-13/h3,6,13H,4H2,1-2H3,(H,9,11).
What are the key properties of 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol?
2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol has a molecular weight of 212.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol is sourced from PubChem (CID 130622242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).