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

C12H6ClF2N5S — CID 62866497

IUPAC2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
SMILESFc1ccc(Sc2nc(Cl)nc(-n3ccnc3)n2)cc1F
InChIInChI=1S/C12H6ClF2N5S/c13-10-17-11(20-4-3-16-6-20)19-12(18-10)21-7-1-2-8(14)9(15)5-7/h1-6H
InChIKeyZGSYPTABKHVOIL-UHFFFAOYSA-N
MW325.73 g/mol
LogP3.14
Rot. Bonds3

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

2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine (PubChem CID 62866497) has the molecular formula C12H6ClF2N5S and a molecular weight of 325.73 g/mol. Its IUPAC name is 2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
PubChem CID62866497
Molecular FormulaC12H6ClF2N5S
Molecular Weight325.73 g/mol
Exact Mass325.00
IUPAC Name2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
SMILESFc1ccc(Sc2nc(Cl)nc(-n3ccnc3)n2)cc1F
InChIInChI=1S/C12H6ClF2N5S/c13-10-17-11(20-4-3-16-6-20)19-12(18-10)21-7-1-2-8(14)9(15)5-7/h1-6H
InChIKeyZGSYPTABKHVOIL-UHFFFAOYSA-N
XLogP3.14
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.73
LogP ≤ 53.14
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
1-Methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole;hydrochloride
CID 22155978
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
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-(3,4-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine (CID 62866497) is 2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine is Fc1ccc(Sc2nc(Cl)nc(-n3ccnc3)n2)cc1F.
What is the InChIKey of 2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine?
The InChIKey is ZGSYPTABKHVOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2N5S/c13-10-17-11(20-4-3-16-6-20)19-12(18-10)21-7-1-2-8(14)9(15)5-7/h1-6H.
What are the key properties of 2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine?
2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine has a molecular weight of 325.73 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 62866497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).