2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4,5-dimethyl-1,3-thiazole

C12H11ClFNO2S2 — CID 124506967

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(S(=O)(=O)Cc2c(F)cccc2Cl)sc1C
InChIInChI=1S/C12H11ClFNO2S2/c1-7-8(2)18-12(15-7)19(16,17)6-9-10(13)4-3-5-11(9)14/h3-5H,6H2,1-2H3
InChIKeyONMRSKNYPFGOLB-UHFFFAOYSA-N
MW319.81 g/mol
LogP3.53
Rot. Bonds3

About 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4,5-dimethyl-1,3-thiazole

2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4,5-dimethyl-1,3-thiazole (PubChem CID 124506967) has the molecular formula C12H11ClFNO2S2 and a molecular weight of 319.81 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4,5-dimethyl-1,3-thiazole
PubChem CID124506967
Molecular FormulaC12H11ClFNO2S2
Molecular Weight319.81 g/mol
Exact Mass318.99
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(S(=O)(=O)Cc2c(F)cccc2Cl)sc1C
InChIInChI=1S/C12H11ClFNO2S2/c1-7-8(2)18-12(15-7)19(16,17)6-9-10(13)4-3-5-11(9)14/h3-5H,6H2,1-2H3
InChIKeyONMRSKNYPFGOLB-UHFFFAOYSA-N
XLogP3.53
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-amine
CID 122157809
4-tert-butyl-2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3-thiazole
CID 2805119
3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 102944096
3-[(2-chloro-6-fluorophenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202290
1-(2-chloro-6-fluorophenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)methanesulfonamide
CID 50839680
5-chloro-2-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole;5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole
CID 161414276
2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole
CID 112683812
1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine
CID 105019585
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine
CID 63024195
2-(2-chloro-6-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanone
CID 65238914
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide
CID 42563699
5-chloro-2-[(2-fluorophenyl)methylsulfonyl]-1,3-thiazole
CID 86214966

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4,5-dimethyl-1,3-thiazole (CID 124506967) is 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4,5-dimethyl-1,3-thiazole is Cc1nc(S(=O)(=O)Cc2c(F)cccc2Cl)sc1C.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4,5-dimethyl-1,3-thiazole?
The InChIKey is ONMRSKNYPFGOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO2S2/c1-7-8(2)18-12(15-7)19(16,17)6-9-10(13)4-3-5-11(9)14/h3-5H,6H2,1-2H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4,5-dimethyl-1,3-thiazole?
2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4,5-dimethyl-1,3-thiazole has a molecular weight of 319.81 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 124506967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).