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

C24H20Cl2N4OS — CID 509341

IUPAC2,6-dichloro-N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCCC(c2ccccc2)c2ccccc2)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C24H20Cl2N4OS/c25-19-12-7-13-20(26)21(19)22(31)28-24-30-29-23(32-24)27-15-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,18H,14-15H2,(H,27,29)(H,28,30,31)
InChIKeyBBVGOQLTCRRBKX-UHFFFAOYSA-N
MW483.42 g/mol
LogP6.73
Rot. Bonds8

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

2,6-dichloro-N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 509341) has the molecular formula C24H20Cl2N4OS and a molecular weight of 483.42 g/mol. Its IUPAC name is 2,6-dichloro-N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID509341
Molecular FormulaC24H20Cl2N4OS
Molecular Weight483.42 g/mol
Exact Mass482.07
IUPAC Name2,6-dichloro-N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCCC(c2ccccc2)c2ccccc2)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C24H20Cl2N4OS/c25-19-12-7-13-20(26)21(19)22(31)28-24-30-29-23(32-24)27-15-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,18H,14-15H2,(H,27,29)(H,28,30,31)
InChIKeyBBVGOQLTCRRBKX-UHFFFAOYSA-N
XLogP6.73
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.42
LogP ≤ 56.73
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-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 509334
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-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide (CID 509341) is 2,6-dichloro-N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(NCCC(c2ccccc2)c2ccccc2)s1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is BBVGOQLTCRRBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4OS/c25-19-12-7-13-20(26)21(19)22(31)28-24-30-29-23(32-24)27-15-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,18H,14-15H2,(H,27,29)(H,28,30,31).
What are the key properties of 2,6-dichloro-N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide?
2,6-dichloro-N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 483.42 g/mol, XLogP of 6.73, 8 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-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 509341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).