5-(chloromethyl)-3-thiophen-3-yl-1,2-thiazole

C8H6ClNS2 — CID 139688379

IUPAC5-(chloromethyl)-3-thiophen-3-yl-1,2-thiazole
SMILESClCc1cc(-c2ccsc2)ns1
InChIInChI=1S/C8H6ClNS2/c9-4-7-3-8(10-12-7)6-1-2-11-5-6/h1-3,5H,4H2
InChIKeyFVKKNOHNYAWSMP-UHFFFAOYSA-N
MW215.73 g/mol
LogP3.61
Rot. Bonds2

About 5-(chloromethyl)-3-thiophen-3-yl-1,2-thiazole

5-(chloromethyl)-3-thiophen-3-yl-1,2-thiazole (PubChem CID 139688379) has the molecular formula C8H6ClNS2 and a molecular weight of 215.73 g/mol. Its IUPAC name is 5-(chloromethyl)-3-thiophen-3-yl-1,2-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-thiophen-3-yl-1,2-thiazole
PubChem CID139688379
Molecular FormulaC8H6ClNS2
Molecular Weight215.73 g/mol
Exact Mass214.96
IUPAC Name5-(chloromethyl)-3-thiophen-3-yl-1,2-thiazole
SMILESClCc1cc(-c2ccsc2)ns1
InChIInChI=1S/C8H6ClNS2/c9-4-7-3-8(10-12-7)6-1-2-11-5-6/h1-3,5H,4H2
InChIKeyFVKKNOHNYAWSMP-UHFFFAOYSA-N
XLogP3.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-thiophen-3-ylpyridine
CID 139688384
5-(chloromethyl)-1-(difluoromethyl)-3-thiophen-3-ylpyrazole
CID 121211186
3-(4-thiophen-3-ylphenyl)thiophene
CID 91665249
4-(4-chloro-5-methylthiophen-2-yl)-2-thiophen-3-ylpyridine
CID 144539021
4-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyrazine
CID 91811759
N-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 171989155
5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 43627759
2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile
CID 162413729
2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine
CID 91642715
(3-thiophen-3-ylpyrazol-1-yl)methanol
CID 121211936
4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine
CID 90289832
2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole
CID 43513413

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-thiophen-3-yl-1,2-thiazole?
The IUPAC name of 5-(chloromethyl)-3-thiophen-3-yl-1,2-thiazole (CID 139688379) is 5-(chloromethyl)-3-thiophen-3-yl-1,2-thiazole.
What is the SMILES notation for 5-(chloromethyl)-3-thiophen-3-yl-1,2-thiazole?
The canonical SMILES for 5-(chloromethyl)-3-thiophen-3-yl-1,2-thiazole is ClCc1cc(-c2ccsc2)ns1.
What is the InChIKey of 5-(chloromethyl)-3-thiophen-3-yl-1,2-thiazole?
The InChIKey is FVKKNOHNYAWSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNS2/c9-4-7-3-8(10-12-7)6-1-2-11-5-6/h1-3,5H,4H2.
What are the key properties of 5-(chloromethyl)-3-thiophen-3-yl-1,2-thiazole?
5-(chloromethyl)-3-thiophen-3-yl-1,2-thiazole has a molecular weight of 215.73 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-thiophen-3-yl-1,2-thiazole is sourced from PubChem (CID 139688379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).