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

C17H14FNOS2 — CID 112775383

IUPAC4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1nc(CSc2ccc(F)cc2)cs1
InChIInChI=1S/C17H14FNOS2/c1-20-16-5-3-2-4-15(16)17-19-13(11-22-17)10-21-14-8-6-12(18)7-9-14/h2-9,11H,10H2,1H3
InChIKeyFRQDIKANDFELLY-UHFFFAOYSA-N
MW331.44 g/mol
LogP5.25
Rot. Bonds5

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

4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole (PubChem CID 112775383) has the molecular formula C17H14FNOS2 and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
PubChem CID112775383
Molecular FormulaC17H14FNOS2
Molecular Weight331.44 g/mol
Exact Mass331.05
IUPAC Name4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1nc(CSc2ccc(F)cc2)cs1
InChIInChI=1S/C17H14FNOS2/c1-20-16-5-3-2-4-15(16)17-19-13(11-22-17)10-21-14-8-6-12(18)7-9-14/h2-9,11H,10H2,1H3
InChIKeyFRQDIKANDFELLY-UHFFFAOYSA-N
XLogP5.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dimethoxyphenyl)-4-(naphthalen-2-ylsulfanylmethyl)-1,3-thiazole
CID 7403150
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole
CID 9405825
2-(2-methoxyphenyl)-5-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 112787266
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine
CID 31456517
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 16539589
3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 111542481
4-[[4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 16515730
4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 82094625
2-(5-bromo-2-methoxyphenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazole
CID 2536629
2-(2,3-dimethoxyphenyl)-4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 52728170
2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 51140145
5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 55318268

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole (CID 112775383) is 4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole is COc1ccccc1-c1nc(CSc2ccc(F)cc2)cs1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole?
The InChIKey is FRQDIKANDFELLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNOS2/c1-20-16-5-3-2-4-15(16)17-19-13(11-22-17)10-21-14-8-6-12(18)7-9-14/h2-9,11H,10H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole?
4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole has a molecular weight of 331.44 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 112775383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).