2-chloro-4-(4-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine

C12H7ClFN5S — CID 62868065

IUPAC2-chloro-4-(4-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
SMILESFc1ccc(Sc2nc(Cl)nc(-n3ccnc3)n2)cc1
InChIInChI=1S/C12H7ClFN5S/c13-10-16-11(19-6-5-15-7-19)18-12(17-10)20-9-3-1-8(14)2-4-9/h1-7H
InChIKeyIBNFQVADVUQNJX-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.00
Rot. Bonds3

About 2-chloro-4-(4-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine

2-chloro-4-(4-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine (PubChem CID 62868065) has the molecular formula C12H7ClFN5S and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
PubChem CID62868065
Molecular FormulaC12H7ClFN5S
Molecular Weight307.74 g/mol
Exact Mass307.01
IUPAC Name2-chloro-4-(4-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
SMILESFc1ccc(Sc2nc(Cl)nc(-n3ccnc3)n2)cc1
InChIInChI=1S/C12H7ClFN5S/c13-10-16-11(19-6-5-15-7-19)18-12(17-10)20-9-3-1-8(14)2-4-9/h1-7H
InChIKeyIBNFQVADVUQNJX-UHFFFAOYSA-N
XLogP3.00
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methyl-2-phenylsulfanyl-1H-imidazole
CID 10241768
1H-Imidazole, 1-(methoxymethyl)-2-(phenylthio)-
CID 11020414
2-(2-Fluorophenyl)sulfanylimidazol-1-amine
CID 58076142
Bis(4-fluorophenyl)-methyl-(1-methylimidazol-2-yl)-lambda4-sulfane
CID 69843000
2-(2-Fluorophenyl)sulfanyl-1-methylimidazole
CID 91422235
(2-Phenylsulfanylimidazol-1-yl) thiohypofluorite
CID 142028915
1-(3-Fluorophenyl)sulfanylimidazole
CID 153770898
Imidazole-1-carbodithioic acid, phenyl ester
CID 592676
4-Iodo-1-methyl-2-phenylsulfanylimidazole
CID 102387990
1-(Difluoromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]imidazole
CID 60398265
2-Chloro-4-(2,4-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
CID 62865960
2-Chloro-4-(2,5-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
CID 62866159

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine (CID 62868065) is 2-chloro-4-(4-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine is Fc1ccc(Sc2nc(Cl)nc(-n3ccnc3)n2)cc1.
What is the InChIKey of 2-chloro-4-(4-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine?
The InChIKey is IBNFQVADVUQNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN5S/c13-10-16-11(19-6-5-15-7-19)18-12(17-10)20-9-3-1-8(14)2-4-9/h1-7H.
What are the key properties of 2-chloro-4-(4-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine?
2-chloro-4-(4-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine has a molecular weight of 307.74 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 62868065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).