1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide

C19H25N5O2S — CID 56921075

IUPAC1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)Nc2nnc(CCc3ccccc3)s2)C1
InChIInChI=1S/C19H25N5O2S/c1-23(2)19(26)24-12-6-9-15(13-24)17(25)20-18-22-21-16(27-18)11-10-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,20,22,25)
InChIKeyXFGIKAJGLKMQSU-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.66
Rot. Bonds5

About 1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide

1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide (PubChem CID 56921075) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide
PubChem CID56921075
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)Nc2nnc(CCc3ccccc3)s2)C1
InChIInChI=1S/C19H25N5O2S/c1-23(2)19(26)24-12-6-9-15(13-24)17(25)20-18-22-21-16(27-18)11-10-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,20,22,25)
InChIKeyXFGIKAJGLKMQSU-UHFFFAOYSA-N
XLogP2.66
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161596
3-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921381
(3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94857964
3-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921245
1-benzoyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 136524415
(3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94857992
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 29410855
1-N,1-N-dimethyl-3-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72857111
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224187
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47988948
(2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 97324277
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 75469157

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide (CID 56921075) is 1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide is CN(C)C(=O)N1CCCC(C(=O)Nc2nnc(CCc3ccccc3)s2)C1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide?
The InChIKey is XFGIKAJGLKMQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-23(2)19(26)24-12-6-9-15(13-24)17(25)20-18-22-21-16(27-18)11-10-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,20,22,25).
What are the key properties of 1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide?
1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 56921075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).