2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole

C16H10ClF2NOS — CID 2742538

IUPAC2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole
SMILESFC(F)Oc1cccc(-c2csc(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C16H10ClF2NOS/c17-12-6-4-10(5-7-12)15-20-14(9-22-15)11-2-1-3-13(8-11)21-16(18)19/h1-9,16H
InChIKeyUYDBJJHLWDQYPL-UHFFFAOYSA-N
MW337.78 g/mol
LogP5.73
Rot. Bonds4

About 2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole

2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole (PubChem CID 2742538) has the molecular formula C16H10ClF2NOS and a molecular weight of 337.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole
PubChem CID2742538
Molecular FormulaC16H10ClF2NOS
Molecular Weight337.78 g/mol
Exact Mass337.01
IUPAC Name2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole
SMILESFC(F)Oc1cccc(-c2csc(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C16H10ClF2NOS/c17-12-6-4-10(5-7-12)15-20-14(9-22-15)11-2-1-3-13(8-11)21-16(18)19/h1-9,16H
InChIKeyUYDBJJHLWDQYPL-UHFFFAOYSA-N
XLogP5.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.78
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2742540
N-butyl-N-[1-[3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenoxy]propyl]butan-1-amine
CID 70415710
4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62946114
3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine
CID 62667414
2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile
CID 43145525
4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 150697593
2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine
CID 62653135
4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole
CID 163760203
3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667919
N-[3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173812
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
4-(difluoromethoxy)-2-phenyl-1,3-thiazole
CID 91278052

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole (CID 2742538) is 2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole is FC(F)Oc1cccc(-c2csc(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole?
The InChIKey is UYDBJJHLWDQYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2NOS/c17-12-6-4-10(5-7-12)15-20-14(9-22-15)11-2-1-3-13(8-11)21-16(18)19/h1-9,16H.
What are the key properties of 2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole?
2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole has a molecular weight of 337.78 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole is sourced from PubChem (CID 2742538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).