4-[4-(4,5-diiodoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine

C10H10I2N4OS — CID 118710795

IUPAC4-[4-(4,5-diiodoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine
SMILESIc1ncn(-c2csc(N3CCOCC3)n2)c1I
InChIInChI=1S/C10H10I2N4OS/c11-8-9(12)16(6-13-8)7-5-18-10(14-7)15-1-3-17-4-2-15/h5-6H,1-4H2
InChIKeyRTVWYYGYVBAFBZ-UHFFFAOYSA-N
MW488.09 g/mol
LogP2.37
Rot. Bonds2

About 4-[4-(4,5-diiodoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine

4-[4-(4,5-diiodoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine (PubChem CID 118710795) has the molecular formula C10H10I2N4OS and a molecular weight of 488.09 g/mol. Its IUPAC name is 4-[4-(4,5-diiodoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4,5-diiodoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine
PubChem CID118710795
Molecular FormulaC10H10I2N4OS
Molecular Weight488.09 g/mol
Exact Mass487.87
IUPAC Name4-[4-(4,5-diiodoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine
SMILESIc1ncn(-c2csc(N3CCOCC3)n2)c1I
InChIInChI=1S/C10H10I2N4OS/c11-8-9(12)16(6-13-8)7-5-18-10(14-7)15-1-3-17-4-2-15/h5-6H,1-4H2
InChIKeyRTVWYYGYVBAFBZ-UHFFFAOYSA-N
XLogP2.37
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.09
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-(4,5-diiodoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine with MolForge

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

Launch Full Analysis

Related Compounds

(2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid
CID 66632378
[4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol
CID 135171523
4-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]morpholine
CID 166218622
4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine
CID 174341504
4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine
CID 167843609
4-(2-morpholin-4-yl-1,3-thiazol-4-yl)oxan-4-amine
CID 114275536
4-[4-(4-chlorobut-1-enyl)-1,3-thiazol-2-yl]morpholine
CID 170499858
4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine
CID 122154769
4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine
CID 170498163
4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol
CID 170477281
4-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 72720133
4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine
CID 169478013

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,5-diiodoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(4,5-diiodoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine (CID 118710795) is 4-[4-(4,5-diiodoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4,5-diiodoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(4,5-diiodoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine is Ic1ncn(-c2csc(N3CCOCC3)n2)c1I.
What is the InChIKey of 4-[4-(4,5-diiodoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is RTVWYYGYVBAFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10I2N4OS/c11-8-9(12)16(6-13-8)7-5-18-10(14-7)15-1-3-17-4-2-15/h5-6H,1-4H2.
What are the key properties of 4-[4-(4,5-diiodoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine?
4-[4-(4,5-diiodoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 488.09 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,5-diiodoimidazol-1-yl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 118710795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).