[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol

C11H9ClFNOS — CID 82808096

IUPAC[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(Cc2cccc(Cl)c2F)n1
InChIInChI=1S/C11H9ClFNOS/c12-9-3-1-2-7(11(9)13)4-10-14-8(5-15)6-16-10/h1-3,6,15H,4-5H2
InChIKeyTVCXADMOHFAPRJ-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.02
Rot. Bonds3

About [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol

[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol (PubChem CID 82808096) has the molecular formula C11H9ClFNOS and a molecular weight of 257.72 g/mol. Its IUPAC name is [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol
PubChem CID82808096
Molecular FormulaC11H9ClFNOS
Molecular Weight257.72 g/mol
Exact Mass257.01
IUPAC Name[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(Cc2cccc(Cl)c2F)n1
InChIInChI=1S/C11H9ClFNOS/c12-9-3-1-2-7(11(9)13)4-10-14-8(5-15)6-16-10/h1-3,6,15H,4-5H2
InChIKeyTVCXADMOHFAPRJ-UHFFFAOYSA-N
XLogP3.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole
CID 113415638
[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol
CID 66801740
[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82806898
2-[(2-chloro-4-fluorophenyl)methyl]-4-[(2,6-dichlorophenyl)sulfanylmethyl]-1,3-thiazole
CID 46083299
2-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82802807
[2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol
CID 82154477
N-[[2-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363886
ethyl 3-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 103485381
2-[(3-chloro-2-fluorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360366
ethyl 2-[5-(3-chloro-2-fluorophenyl)pentyl]-1,3-thiazole-4-carboxylate
CID 160884615
[4-[(3-chloro-2-fluorophenyl)methyl]thiophen-2-yl]-pyrimidin-5-ylmethanone
CID 175804598
[2-(naphthalen-1-ylmethyl)-1,3-thiazol-4-yl]methanethiol
CID 39099748

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol (CID 82808096) is [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol is OCc1csc(Cc2cccc(Cl)c2F)n1.
What is the InChIKey of [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is TVCXADMOHFAPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNOS/c12-9-3-1-2-7(11(9)13)4-10-14-8(5-15)6-16-10/h1-3,6,15H,4-5H2.
What are the key properties of [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol?
[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 257.72 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 82808096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).