5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole

C10H7ClFNS — CID 90882349

IUPAC5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole
SMILESFc1ccc(Cc2cncs2)c(Cl)c1
InChIInChI=1S/C10H7ClFNS/c11-10-4-8(12)2-1-7(10)3-9-5-13-6-14-9/h1-2,4-6H,3H2
InChIKeyKEKXPVMXLAABFT-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.53
Rot. Bonds2

About 5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole

5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole (PubChem CID 90882349) has the molecular formula C10H7ClFNS and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole
PubChem CID90882349
Molecular FormulaC10H7ClFNS
Molecular Weight227.69 g/mol
Exact Mass227.00
IUPAC Name5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole
SMILESFc1ccc(Cc2cncs2)c(Cl)c1
InChIInChI=1S/C10H7ClFNS/c11-10-4-8(12)2-1-7(10)3-9-5-13-6-14-9/h1-2,4-6H,3H2
InChIKeyKEKXPVMXLAABFT-UHFFFAOYSA-N
XLogP3.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2,4-dichlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
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1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589055
5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide
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1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642213
1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole
CID 53443819
1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642259
5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 66302862
1-(5-fluoro-2-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642936
5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione
CID 112640986
1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethanone
CID 63036168
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030725

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole (CID 90882349) is 5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole is Fc1ccc(Cc2cncs2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole?
The InChIKey is KEKXPVMXLAABFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNS/c11-10-4-8(12)2-1-7(10)3-9-5-13-6-14-9/h1-2,4-6H,3H2.
What are the key properties of 5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole?
5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole has a molecular weight of 227.69 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 90882349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).