4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole

C12H16INOS — CID 91359235

IUPAC4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole
SMILESCO[C@@H](CC=CI)C(C)=Cc1csc(C)n1
InChIInChI=1S/C12H16INOS/c1-9(12(15-3)5-4-6-13)7-11-8-16-10(2)14-11/h4,6-8,12H,5H2,1-3H3/t12-/m0/s1
InChIKeyFLRDSNMKDHDUFY-LBPRGKRZSA-N
MW349.24 g/mol
LogP4.21
Rot. Bonds5

About 4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole

4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole (PubChem CID 91359235) has the molecular formula C12H16INOS and a molecular weight of 349.24 g/mol. Its IUPAC name is 4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole
PubChem CID91359235
Molecular FormulaC12H16INOS
Molecular Weight349.24 g/mol
Exact Mass349.00
IUPAC Name4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole
SMILESCO[C@@H](CC=CI)C(C)=Cc1csc(C)n1
InChIInChI=1S/C12H16INOS/c1-9(12(15-3)5-4-6-13)7-11-8-16-10(2)14-11/h4,6-8,12H,5H2,1-3H3/t12-/m0/s1
InChIKeyFLRDSNMKDHDUFY-LBPRGKRZSA-N
XLogP4.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole 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

4-[(1E)-3-methoxy-2-methylhepta-1,5-dienyl]-2-methyl-1,3-thiazole;molecular iodine;yttrium
CID 160666379
[3-[(E)-2-methoxy-3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-enyl]-2-methyloxiran-2-yl]methanol
CID 18739761
triethyl-[(3S)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-yl]oxysilane
CID 90972349
ethane;4-[(1E)-3-methoxy-2,6-dimethylhepta-1,5-dienyl]-2-propyl-1,3-thiazole
CID 142083736
[(1E,3S,5Z)-2,6-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)octa-1,5,7-trien-3-yl] acetate
CID 11266290
4-[(1E,3S)-2,3-dimethylhexa-1,5-dienyl]-2-methyl-1,3-thiazole;molecular hydrogen
CID 158873565
(1E,3R,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hepta-1,5-dien-3-ol
CID 59922940
(E,3S)-3-(2-methoxyethoxymethoxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
CID 11514961
(E,3S)-3-hydroxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid
CID 11831158
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)hepta-2,6-dien-1-ol
CID 57270333
(2Z,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)hepta-2,6-dien-1-ol
CID 6025407
(3R)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-triethylsilyloxypent-4-en-1-one;osmium(1+)
CID 173271111

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole (CID 91359235) is 4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole is CO[C@@H](CC=CI)C(C)=Cc1csc(C)n1.
What is the InChIKey of 4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole?
The InChIKey is FLRDSNMKDHDUFY-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16INOS/c1-9(12(15-3)5-4-6-13)7-11-8-16-10(2)14-11/h4,6-8,12H,5H2,1-3H3/t12-/m0/s1.
What are the key properties of 4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole?
4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole has a molecular weight of 349.24 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-6-iodo-3-methoxy-2-methylhexa-1,5-dienyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 91359235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).