N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C21H22N4O2S2 — CID 17224187

IUPACN-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1nnc(CCc2ccccc2)s1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C21H22N4O2S2/c26-19(16-10-12-25(13-11-16)20(27)17-7-4-14-28-17)22-21-24-23-18(29-21)9-8-15-5-2-1-3-6-15/h1-7,14,16H,8-13H2,(H,22,24,26)
InChIKeyFNQYJSHSXGRZSJ-UHFFFAOYSA-N
MW426.57 g/mol
LogP3.88
Rot. Bonds6

About N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 17224187) has the molecular formula C21H22N4O2S2 and a molecular weight of 426.57 g/mol. Its IUPAC name is N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID17224187
Molecular FormulaC21H22N4O2S2
Molecular Weight426.57 g/mol
Exact Mass426.12
IUPAC NameN-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1nnc(CCc2ccccc2)s1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C21H22N4O2S2/c26-19(16-10-12-25(13-11-16)20(27)17-7-4-14-28-17)22-21-24-23-18(29-21)9-8-15-5-2-1-3-6-15/h1-7,14,16H,8-13H2,(H,22,24,26)
InChIKeyFNQYJSHSXGRZSJ-UHFFFAOYSA-N
XLogP3.88
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224197
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213
1-(4-fluorobenzoyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 17224045
N-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55857162
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 31857710
1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide
CID 56921075
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6497508
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
1-(furan-2-carbonyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 6463563
4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56920172

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 17224187) is N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1nnc(CCc2ccccc2)s1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is FNQYJSHSXGRZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S2/c26-19(16-10-12-25(13-11-16)20(27)17-7-4-14-28-17)22-21-24-23-18(29-21)9-8-15-5-2-1-3-6-15/h1-7,14,16H,8-13H2,(H,22,24,26).
What are the key properties of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 426.57 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 17224187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).