2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole

C10H9F2NS — CID 54193914

IUPAC2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole
SMILESFc1cc(F)cc(CC2=NCCS2)c1
InChIInChI=1S/C10H9F2NS/c11-8-3-7(4-9(12)6-8)5-10-13-1-2-14-10/h3-4,6H,1-2,5H2
InChIKeyPKKWROWOZWBBHZ-UHFFFAOYSA-N
MW213.25 g/mol
LogP2.65
Rot. Bonds2

About 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole

2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole (PubChem CID 54193914) has the molecular formula C10H9F2NS and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole
PubChem CID54193914
Molecular FormulaC10H9F2NS
Molecular Weight213.25 g/mol
Exact Mass213.04
IUPAC Name2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole
SMILESFc1cc(F)cc(CC2=NCCS2)c1
InChIInChI=1S/C10H9F2NS/c11-8-3-7(4-9(12)6-8)5-10-13-1-2-14-10/h3-4,6H,1-2,5H2
InChIKeyPKKWROWOZWBBHZ-UHFFFAOYSA-N
XLogP2.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole (CID 54193914) is 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole is Fc1cc(F)cc(CC2=NCCS2)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is PKKWROWOZWBBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NS/c11-8-3-7(4-9(12)6-8)5-10-13-1-2-14-10/h3-4,6H,1-2,5H2.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole?
2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 213.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 54193914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).