4-(difluoromethyl)-2-phenyl-1,3-thiazole

C10H7F2NS — CID 91615128

IUPAC4-(difluoromethyl)-2-phenyl-1,3-thiazole
SMILESFC(F)c1csc(-c2ccccc2)n1
InChIInChI=1S/C10H7F2NS/c11-9(12)8-6-14-10(13-8)7-4-2-1-3-5-7/h1-6,9H
InChIKeyPKEWAVYSSVFNGQ-UHFFFAOYSA-N
MW211.24 g/mol
LogP3.75
Rot. Bonds2

About 4-(difluoromethyl)-2-phenyl-1,3-thiazole

4-(difluoromethyl)-2-phenyl-1,3-thiazole (PubChem CID 91615128) has the molecular formula C10H7F2NS and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-(difluoromethyl)-2-phenyl-1,3-thiazole
PubChem CID91615128
Molecular FormulaC10H7F2NS
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name4-(difluoromethyl)-2-phenyl-1,3-thiazole
SMILESFC(F)c1csc(-c2ccccc2)n1
InChIInChI=1S/C10H7F2NS/c11-9(12)8-6-14-10(13-8)7-4-2-1-3-5-7/h1-6,9H
InChIKeyPKEWAVYSSVFNGQ-UHFFFAOYSA-N
XLogP3.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 12009827
2-amino-1-(2-phenyl-1,3-thiazol-4-yl)ethanol
CID 14076241
4-(difluoromethoxy)-2-phenyl-1,3-thiazole
CID 91278052
2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891277
methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 70818588
diphenyl-[(2R)-2-(2-phenyl-1,3-thiazol-4-yl)propyl]phosphane
CID 24766068
2-phenyl-1,3-thiazol-4-ol
CID 568728
ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate
CID 102139996
2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole
CID 20664385
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
(2-pyridin-4-yl-1,3-thiazol-4-yl)methanediol
CID 134369302

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-phenyl-1,3-thiazole?
The IUPAC name of 4-(difluoromethyl)-2-phenyl-1,3-thiazole (CID 91615128) is 4-(difluoromethyl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-(difluoromethyl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-(difluoromethyl)-2-phenyl-1,3-thiazole is FC(F)c1csc(-c2ccccc2)n1.
What is the InChIKey of 4-(difluoromethyl)-2-phenyl-1,3-thiazole?
The InChIKey is PKEWAVYSSVFNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NS/c11-9(12)8-6-14-10(13-8)7-4-2-1-3-5-7/h1-6,9H.
What are the key properties of 4-(difluoromethyl)-2-phenyl-1,3-thiazole?
4-(difluoromethyl)-2-phenyl-1,3-thiazole has a molecular weight of 211.24 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 91615128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).