2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole

C11H9ClFNOS — CID 107511921

IUPAC2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C11H9ClFNOS/c1-15-5-8-6-16-11(14-8)9-3-2-7(13)4-10(9)12/h2-4,6H,5H2,1H3
InChIKeyRDBBWTHSMWLIIP-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.75
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole

2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole (PubChem CID 107511921) has the molecular formula C11H9ClFNOS and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole
PubChem CID107511921
Molecular FormulaC11H9ClFNOS
Molecular Weight257.72 g/mol
Exact Mass257.01
IUPAC Name2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C11H9ClFNOS/c1-15-5-8-6-16-11(14-8)9-3-2-7(13)4-10(9)12/h2-4,6H,5H2,1H3
InChIKeyRDBBWTHSMWLIIP-UHFFFAOYSA-N
XLogP3.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 62944104
4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine
CID 62944668
4-[(2-chloro-4-fluorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
CID 26763485
2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline
CID 107507057
2-(3-chloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511905
2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107512046
2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511912
2-(4-bromothiophen-3-yl)-4-(methoxymethyl)-1,3-thiazole
CID 167839205
4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole
CID 107511959
2-(3-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107512025
2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511692
3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole
CID 146144239

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole (CID 107511921) is 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole is COCc1csc(-c2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole?
The InChIKey is RDBBWTHSMWLIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNOS/c1-15-5-8-6-16-11(14-8)9-3-2-7(13)4-10(9)12/h2-4,6H,5H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole?
2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole has a molecular weight of 257.72 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole is sourced from PubChem (CID 107511921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).