2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole

C16H12Cl2FNOS — CID 132593001

IUPAC2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
SMILESFc1ccccc1COc1c(Cl)cc(C2=NCCS2)cc1Cl
InChIInChI=1S/C16H12Cl2FNOS/c17-12-7-11(16-20-5-6-22-16)8-13(18)15(12)21-9-10-3-1-2-4-14(10)19/h1-4,7-8H,5-6,9H2
InChIKeyBTUMEGBGQQMVPA-UHFFFAOYSA-N
MW356.25 g/mol
LogP5.20
Rot. Bonds4

About 2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole

2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 132593001) has the molecular formula C16H12Cl2FNOS and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
PubChem CID132593001
Molecular FormulaC16H12Cl2FNOS
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
SMILESFc1ccccc1COc1c(Cl)cc(C2=NCCS2)cc1Cl
InChIInChI=1S/C16H12Cl2FNOS/c17-12-7-11(16-20-5-6-22-16)8-13(18)15(12)21-9-10-3-1-2-4-14(10)19/h1-4,7-8H,5-6,9H2
InChIKeyBTUMEGBGQQMVPA-UHFFFAOYSA-N
XLogP5.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.25
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-4,5-dihydro-1,3-thiazole
CID 132593114
2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593144
2-[3-bromo-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593104
2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593171
3,5-dichloro-4-[(2-fluorophenyl)methoxy]benzamide
CID 91682781
(5E)-2-amino-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 7376388
3,5-dichloro-4-[(2-fluorophenyl)methoxy]-2,6-dimethylpyridine
CID 134064703
2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593167
prop-2-ynyl 3,5-dichloro-4-[(2-fluorophenyl)methoxy]benzoate
CID 91682729
(7R)-7-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137094062
1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217862
3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 8707053

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole (CID 132593001) is 2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole is Fc1ccccc1COc1c(Cl)cc(C2=NCCS2)cc1Cl.
What is the InChIKey of 2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is BTUMEGBGQQMVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FNOS/c17-12-7-11(16-20-5-6-22-16)8-13(18)15(12)21-9-10-3-1-2-4-14(10)19/h1-4,7-8H,5-6,9H2.
What are the key properties of 2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 356.25 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 132593001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).