(4-chloro-2-fluoro-5-methylphenyl)-oxido-[(2-phenyl-1,3-thiazol-4-yl)amino]sulfanium

C16H12ClFN2OS2 — CID 174347209

IUPAC(4-chloro-2-fluoro-5-methylphenyl)-oxido-[(2-phenyl-1,3-thiazol-4-yl)amino]sulfanium
SMILESCc1cc([S+]([O-])Nc2csc(-c3ccccc3)n2)c(F)cc1Cl
InChIInChI=1S/C16H12ClFN2OS2/c1-10-7-14(13(18)8-12(10)17)23(21)20-15-9-22-16(19-15)11-5-3-2-4-6-11/h2-9,20H,1H3
InChIKeyFFADZJPDRXRDSD-UHFFFAOYSA-N
MW366.87 g/mol
LogP5.05
Rot. Bonds4

About (4-chloro-2-fluoro-5-methylphenyl)-oxido-[(2-phenyl-1,3-thiazol-4-yl)amino]sulfanium

(4-chloro-2-fluoro-5-methylphenyl)-oxido-[(2-phenyl-1,3-thiazol-4-yl)amino]sulfanium (PubChem CID 174347209) has the molecular formula C16H12ClFN2OS2 and a molecular weight of 366.87 g/mol. Its IUPAC name is (4-chloro-2-fluoro-5-methylphenyl)-oxido-[(2-phenyl-1,3-thiazol-4-yl)amino]sulfanium.

Molecular Properties

Compound Name(4-chloro-2-fluoro-5-methylphenyl)-oxido-[(2-phenyl-1,3-thiazol-4-yl)amino]sulfanium
PubChem CID174347209
Molecular FormulaC16H12ClFN2OS2
Molecular Weight366.87 g/mol
Exact Mass366.01
IUPAC Name(4-chloro-2-fluoro-5-methylphenyl)-oxido-[(2-phenyl-1,3-thiazol-4-yl)amino]sulfanium
SMILESCc1cc([S+]([O-])Nc2csc(-c3ccccc3)n2)c(F)cc1Cl
InChIInChI=1S/C16H12ClFN2OS2/c1-10-7-14(13(18)8-12(10)17)23(21)20-15-9-22-16(19-15)11-5-3-2-4-6-11/h2-9,20H,1H3
InChIKeyFFADZJPDRXRDSD-UHFFFAOYSA-N
XLogP5.05
TPSA47.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.87
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole
CID 163760203
N-(2-phenyl-1,3-thiazol-4-yl)formamide
CID 174971038
3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286270
1-(3-chloro-4-methylphenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286290
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2553139
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892044
4-tert-butyl-2-phenyl-1,3-thiazole
CID 608825
N-(4-chloro-2-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 7741839
1-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 106818197
5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 6459796
4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 150697593
4-(4-chlorophenyl)sulfanyl-2-phenyl-1,3-thiazole
CID 929608

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluoro-5-methylphenyl)-oxido-[(2-phenyl-1,3-thiazol-4-yl)amino]sulfanium?
The IUPAC name of (4-chloro-2-fluoro-5-methylphenyl)-oxido-[(2-phenyl-1,3-thiazol-4-yl)amino]sulfanium (CID 174347209) is (4-chloro-2-fluoro-5-methylphenyl)-oxido-[(2-phenyl-1,3-thiazol-4-yl)amino]sulfanium.
What is the SMILES notation for (4-chloro-2-fluoro-5-methylphenyl)-oxido-[(2-phenyl-1,3-thiazol-4-yl)amino]sulfanium?
The canonical SMILES for (4-chloro-2-fluoro-5-methylphenyl)-oxido-[(2-phenyl-1,3-thiazol-4-yl)amino]sulfanium is Cc1cc([S+]([O-])Nc2csc(-c3ccccc3)n2)c(F)cc1Cl.
What is the InChIKey of (4-chloro-2-fluoro-5-methylphenyl)-oxido-[(2-phenyl-1,3-thiazol-4-yl)amino]sulfanium?
The InChIKey is FFADZJPDRXRDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2OS2/c1-10-7-14(13(18)8-12(10)17)23(21)20-15-9-22-16(19-15)11-5-3-2-4-6-11/h2-9,20H,1H3.
What are the key properties of (4-chloro-2-fluoro-5-methylphenyl)-oxido-[(2-phenyl-1,3-thiazol-4-yl)amino]sulfanium?
(4-chloro-2-fluoro-5-methylphenyl)-oxido-[(2-phenyl-1,3-thiazol-4-yl)amino]sulfanium has a molecular weight of 366.87 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluoro-5-methylphenyl)-oxido-[(2-phenyl-1,3-thiazol-4-yl)amino]sulfanium is sourced from PubChem (CID 174347209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).