4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole

C14H11F2N3OS — CID 75424823

IUPAC4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole
SMILESFC(F)n1ccnc1COc1ccc(-c2cscn2)cc1
InChIInChI=1S/C14H11F2N3OS/c15-14(16)19-6-5-17-13(19)7-20-11-3-1-10(2-4-11)12-8-21-9-18-12/h1-6,8-9,14H,7H2
InChIKeyNNNRXQAZQRSROW-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.98
Rot. Bonds5

About 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole

4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole (PubChem CID 75424823) has the molecular formula C14H11F2N3OS and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole
PubChem CID75424823
Molecular FormulaC14H11F2N3OS
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole
SMILESFC(F)n1ccnc1COc1ccc(-c2cscn2)cc1
InChIInChI=1S/C14H11F2N3OS/c15-14(16)19-6-5-17-13(19)7-20-11-3-1-10(2-4-11)12-8-21-9-18-12/h1-6,8-9,14H,7H2
InChIKeyNNNRXQAZQRSROW-UHFFFAOYSA-N
XLogP3.98
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde
CID 43112135
2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole
CID 103606232
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine
CID 115494550
[5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2-pyridinyl]methanamine
CID 79788216
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one
CID 115495324
1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole
CID 81421392
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine
CID 60879959
1-(difluoromethyl)-2-(methoxymethyl)imidazole
CID 156846999
[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methanol
CID 43326932
(1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
CID 55191156
5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683199
2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 117187741

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole?
The IUPAC name of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole (CID 75424823) is 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole?
The canonical SMILES for 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole is FC(F)n1ccnc1COc1ccc(-c2cscn2)cc1.
What is the InChIKey of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole?
The InChIKey is NNNRXQAZQRSROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3OS/c15-14(16)19-6-5-17-13(19)7-20-11-3-1-10(2-4-11)12-8-21-9-18-12/h1-6,8-9,14H,7H2.
What are the key properties of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole?
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole has a molecular weight of 307.33 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole is sourced from PubChem (CID 75424823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).