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

C10H12IN3OS — CID 166003394

IUPAC1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopentan-1-ol
SMILESCc1nc2sc(C3(O)CCCC3)nn2c1I
InChIInChI=1S/C10H12IN3OS/c1-6-7(11)14-9(12-6)16-8(13-14)10(15)4-2-3-5-10/h15H,2-5H2,1H3
InChIKeyWCWKXDMQGIUHEF-UHFFFAOYSA-N
MW349.20 g/mol
LogP2.47
Rot. Bonds1

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

1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopentan-1-ol (PubChem CID 166003394) has the molecular formula C10H12IN3OS and a molecular weight of 349.20 g/mol. Its IUPAC name is 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopentan-1-ol
PubChem CID166003394
Molecular FormulaC10H12IN3OS
Molecular Weight349.20 g/mol
Exact Mass348.97
IUPAC Name1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopentan-1-ol
SMILESCc1nc2sc(C3(O)CCCC3)nn2c1I
InChIInChI=1S/C10H12IN3OS/c1-6-7(11)14-9(12-6)16-8(13-14)10(15)4-2-3-5-10/h15H,2-5H2,1H3
InChIKeyWCWKXDMQGIUHEF-UHFFFAOYSA-N
XLogP2.47
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopentan-1-ol?
The IUPAC name of 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopentan-1-ol (CID 166003394) is 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopentan-1-ol?
The canonical SMILES for 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopentan-1-ol is Cc1nc2sc(C3(O)CCCC3)nn2c1I.
What is the InChIKey of 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopentan-1-ol?
The InChIKey is WCWKXDMQGIUHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3OS/c1-6-7(11)14-9(12-6)16-8(13-14)10(15)4-2-3-5-10/h15H,2-5H2,1H3.
What are the key properties of 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopentan-1-ol?
1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopentan-1-ol has a molecular weight of 349.20 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 166003394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).