2-(5,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol

C9H13N3OS — CID 156543384

IUPAC2-(5,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol
SMILESCc1nc2sc(C(C)(C)O)nn2c1C
InChIInChI=1S/C9H13N3OS/c1-5-6(2)12-8(10-5)14-7(11-12)9(3,4)13/h13H,1-4H3
InChIKeyAPOBSVUXMUWIFU-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.64
Rot. Bonds1

About 2-(5,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol

2-(5,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol (PubChem CID 156543384) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(5,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol
PubChem CID156543384
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name2-(5,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol
SMILESCc1nc2sc(C(C)(C)O)nn2c1C
InChIInChI=1S/C9H13N3OS/c1-5-6(2)12-8(10-5)14-7(11-12)9(3,4)13/h13H,1-4H3
InChIKeyAPOBSVUXMUWIFU-UHFFFAOYSA-N
XLogP1.64
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol?
The IUPAC name of 2-(5,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol (CID 156543384) is 2-(5,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(5,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol?
The canonical SMILES for 2-(5,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol is Cc1nc2sc(C(C)(C)O)nn2c1C.
What is the InChIKey of 2-(5,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol?
The InChIKey is APOBSVUXMUWIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-5-6(2)12-8(10-5)14-7(11-12)9(3,4)13/h13H,1-4H3.
What are the key properties of 2-(5,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol?
2-(5,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol has a molecular weight of 211.29 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol is sourced from PubChem (CID 156543384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).