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

C12H14IN3OS — CID 146411381

IUPACdicyclopropyl-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methanol
SMILESCc1nc2sc(C(O)(C3CC3)C3CC3)nn2c1I
InChIInChI=1S/C12H14IN3OS/c1-6-9(13)16-11(14-6)18-10(15-16)12(17,7-2-3-7)8-4-5-8/h7-8,17H,2-5H2,1H3
InChIKeyZTJZJMXRHPRHAI-UHFFFAOYSA-N
MW375.24 g/mol
LogP2.71
Rot. Bonds3

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

dicyclopropyl-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methanol (PubChem CID 146411381) has the molecular formula C12H14IN3OS and a molecular weight of 375.24 g/mol. Its IUPAC name is dicyclopropyl-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methanol.

Molecular Properties

Compound Namedicyclopropyl-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methanol
PubChem CID146411381
Molecular FormulaC12H14IN3OS
Molecular Weight375.24 g/mol
Exact Mass374.99
IUPAC Namedicyclopropyl-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methanol
SMILESCc1nc2sc(C(O)(C3CC3)C3CC3)nn2c1I
InChIInChI=1S/C12H14IN3OS/c1-6-9(13)16-11(14-6)18-10(15-16)12(17,7-2-3-7)8-4-5-8/h7-8,17H,2-5H2,1H3
InChIKeyZTJZJMXRHPRHAI-UHFFFAOYSA-N
XLogP2.71
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.24
LogP ≤ 52.71
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 dicyclopropyl-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methanol?
The IUPAC name of dicyclopropyl-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methanol (CID 146411381) is dicyclopropyl-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methanol.
What is the SMILES notation for dicyclopropyl-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methanol?
The canonical SMILES for dicyclopropyl-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methanol is Cc1nc2sc(C(O)(C3CC3)C3CC3)nn2c1I.
What is the InChIKey of dicyclopropyl-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methanol?
The InChIKey is ZTJZJMXRHPRHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN3OS/c1-6-9(13)16-11(14-6)18-10(15-16)12(17,7-2-3-7)8-4-5-8/h7-8,17H,2-5H2,1H3.
What are the key properties of dicyclopropyl-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methanol?
dicyclopropyl-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methanol has a molecular weight of 375.24 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopropyl-(5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methanol is sourced from PubChem (CID 146411381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).