2-cyclopropyl-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole

C8H8IN3S — CID 146411650

IUPAC2-cyclopropyl-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nc2sc(C3CC3)nn2c1I
InChIInChI=1S/C8H8IN3S/c1-4-6(9)12-8(10-4)13-7(11-12)5-2-3-5/h5H,2-3H2,1H3
InChIKeyMRQHGQQSELDPGJ-UHFFFAOYSA-N
MW305.14 g/mol
LogP2.58
Rot. Bonds1

About 2-cyclopropyl-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole

2-cyclopropyl-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 146411650) has the molecular formula C8H8IN3S and a molecular weight of 305.14 g/mol. Its IUPAC name is 2-cyclopropyl-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID146411650
Molecular FormulaC8H8IN3S
Molecular Weight305.14 g/mol
Exact Mass304.95
IUPAC Name2-cyclopropyl-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nc2sc(C3CC3)nn2c1I
InChIInChI=1S/C8H8IN3S/c1-4-6(9)12-8(10-4)13-7(11-12)5-2-3-5/h5H,2-3H2,1H3
InChIKeyMRQHGQQSELDPGJ-UHFFFAOYSA-N
XLogP2.58
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-cyclopropyl-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 146411650) is 2-cyclopropyl-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole is Cc1nc2sc(C3CC3)nn2c1I.
What is the InChIKey of 2-cyclopropyl-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is MRQHGQQSELDPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN3S/c1-4-6(9)12-8(10-4)13-7(11-12)5-2-3-5/h5H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
2-cyclopropyl-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 305.14 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 146411650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).