2,2-diphenyl-N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide

C26H31N5OS — CID 58430538

IUPAC2,2-diphenyl-N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Nc1nnc(N2CCC(N3CCCCC3)CC2)s1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31N5OS/c32-24(23(20-10-4-1-5-11-20)21-12-6-2-7-13-21)27-25-28-29-26(33-25)31-18-14-22(15-19-31)30-16-8-3-9-17-30/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2,(H,27,28,32)
InChIKeyMGSALSMPVAVDAD-UHFFFAOYSA-N
MW461.64 g/mol
LogP4.76
Rot. Bonds6

About 2,2-diphenyl-N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide

2,2-diphenyl-N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 58430538) has the molecular formula C26H31N5OS and a molecular weight of 461.64 g/mol. Its IUPAC name is 2,2-diphenyl-N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID58430538
Molecular FormulaC26H31N5OS
Molecular Weight461.64 g/mol
Exact Mass461.22
IUPAC Name2,2-diphenyl-N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Nc1nnc(N2CCC(N3CCCCC3)CC2)s1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31N5OS/c32-24(23(20-10-4-1-5-11-20)21-12-6-2-7-13-21)27-25-28-29-26(33-25)31-18-14-22(15-19-31)30-16-8-3-9-17-30/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2,(H,27,28,32)
InChIKeyMGSALSMPVAVDAD-UHFFFAOYSA-N
XLogP4.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.64
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-phenyl-N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 58430760
1-(2,6-dichlorophenyl)-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 58430784
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 45377639
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide
CID 46952064
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 5040744
(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 94797745
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,2-diphenylacetamide
CID 52725730
(2R)-N-cyclopropyl-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 94458856
3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol
CID 58430756
benzyl (3S)-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxylate
CID 58430663
2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53319171

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2,2-diphenyl-N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 58430538) is 2,2-diphenyl-N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(Nc1nnc(N2CCC(N3CCCCC3)CC2)s1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is MGSALSMPVAVDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5OS/c32-24(23(20-10-4-1-5-11-20)21-12-6-2-7-13-21)27-25-28-29-26(33-25)31-18-14-22(15-19-31)30-16-8-3-9-17-30/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2,(H,27,28,32).
What are the key properties of 2,2-diphenyl-N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide?
2,2-diphenyl-N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 461.64 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 58430538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).