5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine

C19H15F2N5OS2 — CID 24562072

IUPAC5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)n1ccnc1CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C19H15F2N5OS2/c20-17(21)26-11-10-22-16(26)12-28-19-25-24-18(29-19)23-13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h1-11,17H,12H2,(H,23,24)
InChIKeyMZLXSDYYPYRFTD-UHFFFAOYSA-N
MW431.49 g/mol
LogP5.96
Rot. Bonds8

About 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine

5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 24562072) has the molecular formula C19H15F2N5OS2 and a molecular weight of 431.49 g/mol. Its IUPAC name is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID24562072
Molecular FormulaC19H15F2N5OS2
Molecular Weight431.49 g/mol
Exact Mass431.07
IUPAC Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)n1ccnc1CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C19H15F2N5OS2/c20-17(21)26-11-10-22-16(26)12-28-19-25-24-18(29-19)23-13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h1-11,17H,12H2,(H,23,24)
InChIKeyMZLXSDYYPYRFTD-UHFFFAOYSA-N
XLogP5.96
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 24562246
2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2340264
5-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 23790137
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 9220434
5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 3944918
N-cyclohexyl-2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 5132751
1,3-dimethyl-6-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyrimidine-2,4-dione
CID 24576541
tert-butyl 2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 7846293
N-(cyclopropylcarbamoyl)-2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 41358771
5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine
CID 2161516
N-(4-methoxyphenyl)-5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 2659144
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 55525163

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine (CID 24562072) is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine is FC(F)n1ccnc1CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1.
What is the InChIKey of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MZLXSDYYPYRFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5OS2/c20-17(21)26-11-10-22-16(26)12-28-19-25-24-18(29-19)23-13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h1-11,17H,12H2,(H,23,24).
What are the key properties of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine?
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 431.49 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24562072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).