(E)-tert-butyl-[7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridin-6-yl]-ethylidene-λ4-sulfane

C14H17F2IN2OS — CID 170616332

IUPAC(E)-tert-butyl-[7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridin-6-yl]-ethylidene-λ4-sulfane
SMILESC/C=S(/c1cn2c(I)cnc2cc1OC(F)F)C(C)(C)C
InChIInChI=1S/C14H17F2IN2OS/c1-5-21(14(2,3)4)10-8-19-11(17)7-18-12(19)6-9(10)20-13(15)16/h5-8,13H,1-4H3
InChIKeyDDLQTUFFWZWBER-UHFFFAOYSA-N
MW426.27 g/mol
LogP4.79
Rot. Bonds3

About (E)-tert-butyl-[7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridin-6-yl]-ethylidene-λ4-sulfane

(E)-tert-butyl-[7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridin-6-yl]-ethylidene-λ4-sulfane (PubChem CID 170616332) has the molecular formula C14H17F2IN2OS and a molecular weight of 426.27 g/mol. Its IUPAC name is (E)-tert-butyl-[7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridin-6-yl]-ethylidene-λ4-sulfane.

Molecular Properties

Compound Name(E)-tert-butyl-[7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridin-6-yl]-ethylidene-λ4-sulfane
PubChem CID170616332
Molecular FormulaC14H17F2IN2OS
Molecular Weight426.27 g/mol
Exact Mass426.01
IUPAC Name(E)-tert-butyl-[7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridin-6-yl]-ethylidene-λ4-sulfane
SMILESC/C=S(/c1cn2c(I)cnc2cc1OC(F)F)C(C)(C)C
InChIInChI=1S/C14H17F2IN2OS/c1-5-21(14(2,3)4)10-8-19-11(17)7-18-12(19)6-9(10)20-13(15)16/h5-8,13H,1-4H3
InChIKeyDDLQTUFFWZWBER-UHFFFAOYSA-N
XLogP4.79
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.27
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (E)-tert-butyl-[7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridin-6-yl]-ethylidene-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-tert-butyl-[7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridin-6-yl]-ethylidene-λ4-sulfane?
The IUPAC name of (E)-tert-butyl-[7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridin-6-yl]-ethylidene-λ4-sulfane (CID 170616332) is (E)-tert-butyl-[7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridin-6-yl]-ethylidene-λ4-sulfane.
What is the SMILES notation for (E)-tert-butyl-[7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridin-6-yl]-ethylidene-λ4-sulfane?
The canonical SMILES for (E)-tert-butyl-[7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridin-6-yl]-ethylidene-λ4-sulfane is C/C=S(/c1cn2c(I)cnc2cc1OC(F)F)C(C)(C)C.
What is the InChIKey of (E)-tert-butyl-[7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridin-6-yl]-ethylidene-λ4-sulfane?
The InChIKey is DDLQTUFFWZWBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2IN2OS/c1-5-21(14(2,3)4)10-8-19-11(17)7-18-12(19)6-9(10)20-13(15)16/h5-8,13H,1-4H3.
What are the key properties of (E)-tert-butyl-[7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridin-6-yl]-ethylidene-λ4-sulfane?
(E)-tert-butyl-[7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridin-6-yl]-ethylidene-λ4-sulfane has a molecular weight of 426.27 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-tert-butyl-[7-(difluoromethoxy)-3-iodoimidazo[1,2-a]pyridin-6-yl]-ethylidene-λ4-sulfane is sourced from PubChem (CID 170616332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).