2-(5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)propan-2-ol

C11H16INOS — CID 167047884

IUPAC2-(5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)propan-2-ol
SMILESCC1c2nc(C(C)(C)O)sc2CC1(C)I
InChIInChI=1S/C11H16INOS/c1-6-8-7(5-11(6,4)12)15-9(13-8)10(2,3)14/h6,14H,5H2,1-4H3
InChIKeyTWSGXXQLALYPRA-UHFFFAOYSA-N
MW337.23 g/mol
LogP3.22
Rot. Bonds1

About 2-(5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)propan-2-ol

2-(5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)propan-2-ol (PubChem CID 167047884) has the molecular formula C11H16INOS and a molecular weight of 337.23 g/mol. Its IUPAC name is 2-(5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)propan-2-ol
PubChem CID167047884
Molecular FormulaC11H16INOS
Molecular Weight337.23 g/mol
Exact Mass337.00
IUPAC Name2-(5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)propan-2-ol
SMILESCC1c2nc(C(C)(C)O)sc2CC1(C)I
InChIInChI=1S/C11H16INOS/c1-6-8-7(5-11(6,4)12)15-9(13-8)10(2,3)14/h6,14H,5H2,1-4H3
InChIKeyTWSGXXQLALYPRA-UHFFFAOYSA-N
XLogP3.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)propan-2-ol with MolForge

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Related Compounds

2-(Difluoromethyl)-5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole
CID 167048182
2-ethyl-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58125059
(4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanol
CID 58125080
2-(methoxymethyl)-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58125085
4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid
CID 58125089
2,4-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58125171
2,5-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 59534154
(4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanol
CID 88973814
2-(methoxymethyl)-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 89729326
2-(1'-Methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-yl)propan-2-ol
CID 167047834
2,4,5,5-Tetramethyl-4,6-dihydrocyclopenta[d][1,3]thiazole
CID 167047860
6-ethyl-2,5-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 57741224

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)propan-2-ol?
The IUPAC name of 2-(5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)propan-2-ol (CID 167047884) is 2-(5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)propan-2-ol?
The canonical SMILES for 2-(5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)propan-2-ol is CC1c2nc(C(C)(C)O)sc2CC1(C)I.
What is the InChIKey of 2-(5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)propan-2-ol?
The InChIKey is TWSGXXQLALYPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INOS/c1-6-8-7(5-11(6,4)12)15-9(13-8)10(2,3)14/h6,14H,5H2,1-4H3.
What are the key properties of 2-(5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)propan-2-ol?
2-(5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)propan-2-ol has a molecular weight of 337.23 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 167047884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).