4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole

C11H9ClFNS — CID 61221053

IUPAC4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole
SMILESFc1cccc(Cc2nc(CCl)cs2)c1
InChIInChI=1S/C11H9ClFNS/c12-6-10-7-15-11(14-10)5-8-2-1-3-9(13)4-8/h1-4,7H,5-6H2
InChIKeyOKOVKVUTOYMTQL-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.61
Rot. Bonds3

About 4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole

4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole (PubChem CID 61221053) has the molecular formula C11H9ClFNS and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole
PubChem CID61221053
Molecular FormulaC11H9ClFNS
Molecular Weight241.72 g/mol
Exact Mass241.01
IUPAC Name4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole
SMILESFc1cccc(Cc2nc(CCl)cs2)c1
InChIInChI=1S/C11H9ClFNS/c12-6-10-7-15-11(14-10)5-8-2-1-3-9(13)4-8/h1-4,7H,5-6H2
InChIKeyOKOVKVUTOYMTQL-UHFFFAOYSA-N
XLogP3.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole
CID 60863894
N-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544898
2-[(3-fluorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928674
2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 55650163
3-[4-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione
CID 69141651
7-[[2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]heptanoic acid
CID 120524058
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
2-[(3-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 110021501
1-(3-bromophenyl)-N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylmethanamine
CID 61416017
3-(chloromethyl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 43120187
2-[(3-fluorophenyl)methyl]-N-(1-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 110021989
(2-benzyl-1,3-thiazol-4-yl)methanethiol
CID 39099745

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole (CID 61221053) is 4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole is Fc1cccc(Cc2nc(CCl)cs2)c1.
What is the InChIKey of 4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole?
The InChIKey is OKOVKVUTOYMTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNS/c12-6-10-7-15-11(14-10)5-8-2-1-3-9(13)4-8/h1-4,7H,5-6H2.
What are the key properties of 4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole?
4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole has a molecular weight of 241.72 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 61221053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).