[4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane

C21H16FN3OS2 — CID 23726035

IUPAC[4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane
SMILESCS(=O)(=Nc1cc(-c2scnc2-c2cccc(F)c2)ccn1)c1ccccc1
InChIInChI=1S/C21H16FN3OS2/c1-28(26,18-8-3-2-4-9-18)25-19-13-16(10-11-23-19)21-20(24-14-27-21)15-6-5-7-17(22)12-15/h2-14H,1H3
InChIKeyVHEPIWVSQVLJKX-UHFFFAOYSA-N
MW409.51 g/mol
LogP5.80
Rot. Bonds4

About [4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane

[4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane (PubChem CID 23726035) has the molecular formula C21H16FN3OS2 and a molecular weight of 409.51 g/mol. Its IUPAC name is [4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Name[4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane
PubChem CID23726035
Molecular FormulaC21H16FN3OS2
Molecular Weight409.51 g/mol
Exact Mass409.07
IUPAC Name[4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane
SMILESCS(=O)(=Nc1cc(-c2scnc2-c2cccc(F)c2)ccn1)c1ccccc1
InChIInChI=1S/C21H16FN3OS2/c1-28(26,18-8-3-2-4-9-18)25-19-13-16(10-11-23-19)21-20(24-14-27-21)15-6-5-7-17(22)12-15/h2-14H,1H3
InChIKeyVHEPIWVSQVLJKX-UHFFFAOYSA-N
XLogP5.80
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane 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

oxo-phenyl-[[4-(4-phenyl-1,3-thiazol-5-yl)-2-pyridinyl]imino]-propan-2-yl-λ6-sulfane
CID 23725223
5-(3-fluorophenyl)-1,3-thiazole-4-carbaldehyde
CID 123747540
5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)thiadiazole
CID 67725641
2-[[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768518
2,3-bis(3-fluorophenyl)quinoxaline
CID 5127743
2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole
CID 21409148
2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314293
CID 172823804
CID 172823804
4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole
CID 91284164
4-chloro-3-(3-fluorophenyl)-2-methylpyridine
CID 165448690
(2-amino-2-methyl-1,3-thiazolidin-3-yl)-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 174618396
2,6-difluoro-N-[3-[5-[2-(3-fluoroanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 58236770

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane?
The IUPAC name of [4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane (CID 23726035) is [4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for [4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane?
The canonical SMILES for [4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane is CS(=O)(=Nc1cc(-c2scnc2-c2cccc(F)c2)ccn1)c1ccccc1.
What is the InChIKey of [4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane?
The InChIKey is VHEPIWVSQVLJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3OS2/c1-28(26,18-8-3-2-4-9-18)25-19-13-16(10-11-23-19)21-20(24-14-27-21)15-6-5-7-17(22)12-15/h2-14H,1H3.
What are the key properties of [4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane?
[4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane has a molecular weight of 409.51 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]imino-methyl-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 23726035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).