2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole

C12H12INS — CID 21355336

IUPAC2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(-c2ccc(I)cc2)n1
InChIInChI=1S/C12H12INS/c1-8(2)11-7-15-12(14-11)9-3-5-10(13)6-4-9/h3-8H,1-2H3
InChIKeyIMKKZEAYBFCXSS-UHFFFAOYSA-N
MW329.21 g/mol
LogP4.54
Rot. Bonds2

About 2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole

2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole (PubChem CID 21355336) has the molecular formula C12H12INS and a molecular weight of 329.21 g/mol. Its IUPAC name is 2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole
PubChem CID21355336
Molecular FormulaC12H12INS
Molecular Weight329.21 g/mol
Exact Mass328.97
IUPAC Name2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(-c2ccc(I)cc2)n1
InChIInChI=1S/C12H12INS/c1-8(2)11-7-15-12(14-11)9-3-5-10(13)6-4-9/h3-8H,1-2H3
InChIKeyIMKKZEAYBFCXSS-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-iodophenyl)-4-propan-2-yl-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

2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole
CID 20664385
N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
CID 116965441
N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 64543468
2-(3-chloro-4-methylphenyl)-4-propan-2-yl-1,3-thiazole
CID 165458129
2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole
CID 112690133
(1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 102442271
[3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558532
1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 12009827
2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-yl-1,3-thiazole
CID 58689212
2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
CID 82152397
3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891362
5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152400

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole (CID 21355336) is 2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole is CC(C)c1csc(-c2ccc(I)cc2)n1.
What is the InChIKey of 2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is IMKKZEAYBFCXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INS/c1-8(2)11-7-15-12(14-11)9-3-5-10(13)6-4-9/h3-8H,1-2H3.
What are the key properties of 2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole?
2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole has a molecular weight of 329.21 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 21355336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).