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

C17H10F5NOS — CID 2742540

IUPAC4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)Oc1cccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1
InChIInChI=1S/C17H10F5NOS/c18-16(19)24-13-3-1-2-11(8-13)14-9-25-15(23-14)10-4-6-12(7-5-10)17(20,21)22/h1-9,16H
InChIKeySMFPKOVGDPKSHY-UHFFFAOYSA-N
MW371.33 g/mol
LogP6.10
Rot. Bonds4

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

4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 2742540) has the molecular formula C17H10F5NOS and a molecular weight of 371.33 g/mol. Its IUPAC name is 4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID2742540
Molecular FormulaC17H10F5NOS
Molecular Weight371.33 g/mol
Exact Mass371.04
IUPAC Name4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)Oc1cccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1
InChIInChI=1S/C17H10F5NOS/c18-16(19)24-13-3-1-2-11(8-13)14-9-25-15(23-14)10-4-6-12(7-5-10)17(20,21)22/h1-9,16H
InChIKeySMFPKOVGDPKSHY-UHFFFAOYSA-N
XLogP6.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.33
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole
CID 2742538
4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62946114
2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile
CID 43145525
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]propan-1-amine
CID 62653135
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 122286129
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
N-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31762041
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286137
N-[3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173812
4-(difluoromethoxy)-2-phenyl-1,3-thiazole
CID 91278052
3-[4-[4-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]benzoic acid
CID 118075231

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 2742540) is 4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)Oc1cccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1.
What is the InChIKey of 4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is SMFPKOVGDPKSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F5NOS/c18-16(19)24-13-3-1-2-11(8-13)14-9-25-15(23-14)10-4-6-12(7-5-10)17(20,21)22/h1-9,16H.
What are the key properties of 4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 371.33 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 2742540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).