5-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-1,3-thiazole

C12H11ClFNS — CID 130314712

IUPAC5-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-1,3-thiazole
SMILESCCc1ncc(Cc2cccc(Cl)c2F)s1
InChIInChI=1S/C12H11ClFNS/c1-2-11-15-7-9(16-11)6-8-4-3-5-10(13)12(8)14/h3-5,7H,2,6H2,1H3
InChIKeyAEWQAISBSOYVBG-UHFFFAOYSA-N
MW255.75 g/mol
LogP4.09
Rot. Bonds3

About 5-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-1,3-thiazole

5-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-1,3-thiazole (PubChem CID 130314712) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-1,3-thiazole
PubChem CID130314712
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC Name5-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-1,3-thiazole
SMILESCCc1ncc(Cc2cccc(Cl)c2F)s1
InChIInChI=1S/C12H11ClFNS/c1-2-11-15-7-9(16-11)6-8-4-3-5-10(13)12(8)14/h3-5,7H,2,6H2,1H3
InChIKeyAEWQAISBSOYVBG-UHFFFAOYSA-N
XLogP4.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-1,3-thiazole?
The IUPAC name of 5-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-1,3-thiazole (CID 130314712) is 5-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-1,3-thiazole.
What is the SMILES notation for 5-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-1,3-thiazole?
The canonical SMILES for 5-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-1,3-thiazole is CCc1ncc(Cc2cccc(Cl)c2F)s1.
What is the InChIKey of 5-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-1,3-thiazole?
The InChIKey is AEWQAISBSOYVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c1-2-11-15-7-9(16-11)6-8-4-3-5-10(13)12(8)14/h3-5,7H,2,6H2,1H3.
What are the key properties of 5-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-1,3-thiazole?
5-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-1,3-thiazole has a molecular weight of 255.75 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-1,3-thiazole is sourced from PubChem (CID 130314712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).