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

C8H10IN3OS — CID 146411385

IUPAC2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol
SMILESCc1nc2sc(C(C)(C)O)nn2c1I
InChIInChI=1S/C8H10IN3OS/c1-4-5(9)12-7(10-4)14-6(11-12)8(2,3)13/h13H,1-3H3
InChIKeyIIWFODDXRFQPOQ-UHFFFAOYSA-N
MW323.16 g/mol
LogP1.93
Rot. Bonds1

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

2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol (PubChem CID 146411385) has the molecular formula C8H10IN3OS and a molecular weight of 323.16 g/mol. Its IUPAC name is 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol
PubChem CID146411385
Molecular FormulaC8H10IN3OS
Molecular Weight323.16 g/mol
Exact Mass322.96
IUPAC Name2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol
SMILESCc1nc2sc(C(C)(C)O)nn2c1I
InChIInChI=1S/C8H10IN3OS/c1-4-5(9)12-7(10-4)14-6(11-12)8(2,3)13/h13H,1-3H3
InChIKeyIIWFODDXRFQPOQ-UHFFFAOYSA-N
XLogP1.93
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

CID 156543513
CID 156543513
CID 146411381
CID 146411381
CID 146411382
CID 146411382
CID 146411393
CID 146411393
CID 146411650
CID 146411650
CID 146411653
CID 146411653
CID 146411655
CID 146411655
CID 146411660
CID 146411660
CID 156543348
CID 156543348
CID 156543384
CID 156543384
CID 166003394
CID 166003394
CID 166003402
CID 166003402

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol?
The IUPAC name of 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol (CID 146411385) is 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol?
The canonical SMILES for 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol is Cc1nc2sc(C(C)(C)O)nn2c1I.
What is the InChIKey of 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol?
The InChIKey is IIWFODDXRFQPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3OS/c1-4-5(9)12-7(10-4)14-6(11-12)8(2,3)13/h13H,1-3H3.
What are the key properties of 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol?
2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol has a molecular weight of 323.16 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propan-2-ol is sourced from PubChem (CID 146411385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).