N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)-6-fluorophenyl]-6-methylpyridine-3-carboxamide

C23H16ClF3N4O3S — CID 155342363

IUPACN-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)-6-fluorophenyl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(-c2c(F)cccc2OC(F)F)c(C(=O)Nc2nnc(OCc3ccc(Cl)cc3)s2)cn1
InChIInChI=1S/C23H16ClF3N4O3S/c1-12-9-15(19-17(25)3-2-4-18(19)34-21(26)27)16(10-28-12)20(32)29-22-30-31-23(35-22)33-11-13-5-7-14(24)8-6-13/h2-10,21H,11H2,1H3,(H,29,30,32)
InChIKeyCFGJVDUCGBRGKG-UHFFFAOYSA-N
MW520.92 g/mol
LogP6.13
Rot. Bonds8

About N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)-6-fluorophenyl]-6-methylpyridine-3-carboxamide

N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)-6-fluorophenyl]-6-methylpyridine-3-carboxamide (PubChem CID 155342363) has the molecular formula C23H16ClF3N4O3S and a molecular weight of 520.92 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)-6-fluorophenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)-6-fluorophenyl]-6-methylpyridine-3-carboxamide
PubChem CID155342363
Molecular FormulaC23H16ClF3N4O3S
Molecular Weight520.92 g/mol
Exact Mass520.06
IUPAC NameN-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)-6-fluorophenyl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(-c2c(F)cccc2OC(F)F)c(C(=O)Nc2nnc(OCc3ccc(Cl)cc3)s2)cn1
InChIInChI=1S/C23H16ClF3N4O3S/c1-12-9-15(19-17(25)3-2-4-18(19)34-21(26)27)16(10-28-12)20(32)29-22-30-31-23(35-22)33-11-13-5-7-14(24)8-6-13/h2-10,21H,11H2,1H3,(H,29,30,32)
InChIKeyCFGJVDUCGBRGKG-UHFFFAOYSA-N
XLogP6.13
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.92
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)-6-fluorophenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)-6-fluorophenyl]-6-methylpyridine-3-carboxamide (CID 155342363) is N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)-6-fluorophenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)-6-fluorophenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)-6-fluorophenyl]-6-methylpyridine-3-carboxamide is Cc1cc(-c2c(F)cccc2OC(F)F)c(C(=O)Nc2nnc(OCc3ccc(Cl)cc3)s2)cn1.
What is the InChIKey of N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)-6-fluorophenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is CFGJVDUCGBRGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N4O3S/c1-12-9-15(19-17(25)3-2-4-18(19)34-21(26)27)16(10-28-12)20(32)29-22-30-31-23(35-22)33-11-13-5-7-14(24)8-6-13/h2-10,21H,11H2,1H3,(H,29,30,32).
What are the key properties of N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)-6-fluorophenyl]-6-methylpyridine-3-carboxamide?
N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)-6-fluorophenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 520.92 g/mol, XLogP of 6.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)-6-fluorophenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 155342363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).