4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole

C13H11ClFNOS2 — CID 95316808

IUPAC4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole
SMILESC=C(Cl)C[S@](=O)Cc1csc(-c2ccccc2F)n1
InChIInChI=1S/C13H11ClFNOS2/c1-9(14)7-19(17)8-10-6-18-13(16-10)11-4-2-3-5-12(11)15/h2-6H,1,7-8H2/t19-/m0/s1
InChIKeyHROOVQZOPMFYRE-IBGZPJMESA-N
MW315.82 g/mol
LogP3.95
Rot. Bonds5

About 4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole

4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole (PubChem CID 95316808) has the molecular formula C13H11ClFNOS2 and a molecular weight of 315.82 g/mol. Its IUPAC name is 4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole
PubChem CID95316808
Molecular FormulaC13H11ClFNOS2
Molecular Weight315.82 g/mol
Exact Mass315.00
IUPAC Name4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole
SMILESC=C(Cl)C[S@](=O)Cc1csc(-c2ccccc2F)n1
InChIInChI=1S/C13H11ClFNOS2/c1-9(14)7-19(17)8-10-6-18-13(16-10)11-4-2-3-5-12(11)15/h2-6H,1,7-8H2/t19-/m0/s1
InChIKeyHROOVQZOPMFYRE-IBGZPJMESA-N
XLogP3.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride
CID 154260992
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CID 95472479
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl-triphenylphosphanium
CID 91757228
N-cyclopentyl-3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]propanamide
CID 110332925
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfinyl]-N-(4-methylphenyl)acetamide
CID 78853474
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid
CID 45493291
2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 53443450
(2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
CID 95352568
N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 56808134
2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888776
2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid
CID 45369812

Frequently Asked Questions

What is the IUPAC name of 4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole?
The IUPAC name of 4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole (CID 95316808) is 4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole is C=C(Cl)C[S@](=O)Cc1csc(-c2ccccc2F)n1.
What is the InChIKey of 4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole?
The InChIKey is HROOVQZOPMFYRE-IBGZPJMESA-N. The full InChI is InChI=1S/C13H11ClFNOS2/c1-9(14)7-19(17)8-10-6-18-13(16-10)11-4-2-3-5-12(11)15/h2-6H,1,7-8H2/t19-/m0/s1.
What are the key properties of 4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole?
4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole has a molecular weight of 315.82 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 95316808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).