2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide

C23H18Cl2N4OS — CID 509334

IUPAC2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCC(c2ccccc2)c2ccccc2)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H18Cl2N4OS/c24-18-12-7-13-19(25)20(18)21(30)27-23-29-28-22(31-23)26-14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17H,14H2,(H,26,28)(H,27,29,30)
InChIKeyNNNRXJWSXZKDNU-UHFFFAOYSA-N
MW469.40 g/mol
LogP6.34
Rot. Bonds7

About 2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide

2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 509334) has the molecular formula C23H18Cl2N4OS and a molecular weight of 469.40 g/mol. Its IUPAC name is 2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID509334
Molecular FormulaC23H18Cl2N4OS
Molecular Weight469.40 g/mol
Exact Mass468.06
IUPAC Name2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCC(c2ccccc2)c2ccccc2)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H18Cl2N4OS/c24-18-12-7-13-19(25)20(18)21(30)27-23-29-28-22(31-23)26-14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17H,14H2,(H,26,28)(H,27,29,30)
InChIKeyNNNRXJWSXZKDNU-UHFFFAOYSA-N
XLogP6.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.40
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 509310
2,6-dichloro-N-[5-[3-(cyclohexylamino)propylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 509315
2,6-dichloro-N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509341
2,6-dichloro-N-[5-[(3,4-dichlorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 509348
2,6-dichloro-N-[5-(tetralin-1-ylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509351
2,6-dichloro-N-[5-(1-naphthylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509376
2,6-Dichloro-N-[5-(2,3-dihydro-1H-inden-1-ylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509390
2,6-dichloro-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 509420
2,6-dichloro-N-[5-(2-cyanoethylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509422
N-{5-[(1-Benzyl-4-piperidinyl)amino]-1,3,4-thiadiazol-2-yl}-2,6-dichlorobenzamide
CID 509427
3,4-dichloro-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509444
N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluoro-benzamide
CID 509458

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide (CID 509334) is 2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(NCC(c2ccccc2)c2ccccc2)s1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is NNNRXJWSXZKDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4OS/c24-18-12-7-13-19(25)20(18)21(30)27-23-29-28-22(31-23)26-14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17H,14H2,(H,26,28)(H,27,29,30).
What are the key properties of 2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 469.40 g/mol, XLogP of 6.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 509334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).