2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole

C16H10F3NS2 — CID 46083243

IUPAC2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole
SMILESFc1cccc(SCc2csc(-c3c(F)cccc3F)n2)c1
InChIInChI=1S/C16H10F3NS2/c17-10-3-1-4-12(7-10)21-8-11-9-22-16(20-11)15-13(18)5-2-6-14(15)19/h1-7,9H,8H2
InChIKeyKNMGHLYXBNHEPL-UHFFFAOYSA-N
MW337.39 g/mol
LogP5.52
Rot. Bonds4

About 2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole

2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole (PubChem CID 46083243) has the molecular formula C16H10F3NS2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole
PubChem CID46083243
Molecular FormulaC16H10F3NS2
Molecular Weight337.39 g/mol
Exact Mass337.02
IUPAC Name2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole
SMILESFc1cccc(SCc2csc(-c3c(F)cccc3F)n2)c1
InChIInChI=1S/C16H10F3NS2/c17-10-3-1-4-12(7-10)21-8-11-9-22-16(20-11)15-13(18)5-2-6-14(15)19/h1-7,9H,8H2
InChIKeyKNMGHLYXBNHEPL-UHFFFAOYSA-N
XLogP5.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.39
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluorophenyl)-4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazole
CID 46083256
2-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
CID 95472481
2-(4-chlorophenyl)-4-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 46083230
4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole
CID 83971235
1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene
CID 91656520
2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 79129470
3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]aniline
CID 79127898
N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281058
2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde
CID 66073284
3-(3-fluorophenyl)sulfanylpropan-1-amine
CID 70244905
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]aniline
CID 79134488
4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine
CID 66073080

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole (CID 46083243) is 2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole is Fc1cccc(SCc2csc(-c3c(F)cccc3F)n2)c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is KNMGHLYXBNHEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NS2/c17-10-3-1-4-12(7-10)21-8-11-9-22-16(20-11)15-13(18)5-2-6-14(15)19/h1-7,9H,8H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 337.39 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 46083243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).