2-[difluoro(phenyl)methyl]-4,5-dimethyl-1,3-thiazole

C12H11F2NS — CID 134950577

IUPAC2-[difluoro(phenyl)methyl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(C(F)(F)c2ccccc2)sc1C
InChIInChI=1S/C12H11F2NS/c1-8-9(2)16-11(15-8)12(13,14)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyKPLLFUUUOPHKOT-UHFFFAOYSA-N
MW239.29 g/mol
LogP3.90
Rot. Bonds2

About 2-[difluoro(phenyl)methyl]-4,5-dimethyl-1,3-thiazole

2-[difluoro(phenyl)methyl]-4,5-dimethyl-1,3-thiazole (PubChem CID 134950577) has the molecular formula C12H11F2NS and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[difluoro(phenyl)methyl]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[difluoro(phenyl)methyl]-4,5-dimethyl-1,3-thiazole
PubChem CID134950577
Molecular FormulaC12H11F2NS
Molecular Weight239.29 g/mol
Exact Mass239.06
IUPAC Name2-[difluoro(phenyl)methyl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(C(F)(F)c2ccccc2)sc1C
InChIInChI=1S/C12H11F2NS/c1-8-9(2)16-11(15-8)12(13,14)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyKPLLFUUUOPHKOT-UHFFFAOYSA-N
XLogP3.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4,5-diphenylthiazole
CID 77365
1-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)-1-ethanone oxime
CID 9581906
Thiazole, 2-chloro-5-methyl-4-phenyl-
CID 208191
(5-Methyl-4-phenyl-1,3-thiazol-2-yl)methanamine
CID 3506452
5-Chloromethyl-4-methyl-2-(4-trifluoromethyl-phenyl)-thiazole
CID 2783006
(4-Methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
4-Benzyl-5-methyl-1,3-thiazol-2-amine
CID 45791585
4-(4-Fluorophenyl)-2-methylthiazole
CID 731894
2-(2-Benzyl-4-methyl-1,3-thiazol-5-yl)acetonitrile
CID 236604
Thiazole, 4,5-diphenyl-2-(trifluoromethyl)-
CID 13015386
5-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-2-(3-phenylpropyl)-1,3-thiazole
CID 169260178
4-Methyl-2,5-diphenyl-1,3-thiazole
CID 8962252

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(phenyl)methyl]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-[difluoro(phenyl)methyl]-4,5-dimethyl-1,3-thiazole (CID 134950577) is 2-[difluoro(phenyl)methyl]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-[difluoro(phenyl)methyl]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-[difluoro(phenyl)methyl]-4,5-dimethyl-1,3-thiazole is Cc1nc(C(F)(F)c2ccccc2)sc1C.
What is the InChIKey of 2-[difluoro(phenyl)methyl]-4,5-dimethyl-1,3-thiazole?
The InChIKey is KPLLFUUUOPHKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NS/c1-8-9(2)16-11(15-8)12(13,14)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 2-[difluoro(phenyl)methyl]-4,5-dimethyl-1,3-thiazole?
2-[difluoro(phenyl)methyl]-4,5-dimethyl-1,3-thiazole has a molecular weight of 239.29 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(phenyl)methyl]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 134950577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).