N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2,3-difluorobenzamide

C23H18F2N4OS — CID 70108043

IUPACN-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2,3-difluorobenzamide
SMILESO=C(Nc1nnc(NCC(c2ccccc2)c2ccccc2)s1)c1cccc(F)c1F
InChIInChI=1S/C23H18F2N4OS/c24-19-13-7-12-17(20(19)25)21(30)27-23-29-28-22(31-23)26-14-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,18H,14H2,(H,26,28)(H,27,29,30)
InChIKeyGRZBNUPFUIEZLN-UHFFFAOYSA-N
MW436.49 g/mol
LogP5.31
Rot. Bonds7

About N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2,3-difluorobenzamide

N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2,3-difluorobenzamide (PubChem CID 70108043) has the molecular formula C23H18F2N4OS and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2,3-difluorobenzamide
PubChem CID70108043
Molecular FormulaC23H18F2N4OS
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC NameN-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2,3-difluorobenzamide
SMILESO=C(Nc1nnc(NCC(c2ccccc2)c2ccccc2)s1)c1cccc(F)c1F
InChIInChI=1S/C23H18F2N4OS/c24-19-13-7-12-17(20(19)25)21(30)27-23-29-28-22(31-23)26-14-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,18H,14H2,(H,26,28)(H,27,29,30)
InChIKeyGRZBNUPFUIEZLN-UHFFFAOYSA-N
XLogP5.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 509333
2-fluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077801
2-fluoro-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319852
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 82176376
2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1389058
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,3-difluorobenzamide
CID 75466790
2-fluoro-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 18864454
2-fluoro-N-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18913046
N-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 43814560
2-fluoro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319851
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4222808

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2,3-difluorobenzamide?
The IUPAC name of N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2,3-difluorobenzamide (CID 70108043) is N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2,3-difluorobenzamide?
The canonical SMILES for N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2,3-difluorobenzamide is O=C(Nc1nnc(NCC(c2ccccc2)c2ccccc2)s1)c1cccc(F)c1F.
What is the InChIKey of N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2,3-difluorobenzamide?
The InChIKey is GRZBNUPFUIEZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4OS/c24-19-13-7-12-17(20(19)25)21(30)27-23-29-28-22(31-23)26-14-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,18H,14H2,(H,26,28)(H,27,29,30).
What are the key properties of N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2,3-difluorobenzamide?
N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2,3-difluorobenzamide has a molecular weight of 436.49 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2,3-difluorobenzamide is sourced from PubChem (CID 70108043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).