1-N,1-N-diethyl-4-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide

C18H31N5O2S — CID 94858097

IUPAC1-N,1-N-diethyl-4-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide
SMILESCCC[C@H](C)c1nnc(NC(=O)C2CCN(C(=O)N(CC)CC)CC2)s1
InChIInChI=1S/C18H31N5O2S/c1-5-8-13(4)16-20-21-17(26-16)19-15(24)14-9-11-23(12-10-14)18(25)22(6-2)7-3/h13-14H,5-12H2,1-4H3,(H,19,21,24)/t13-/m0/s1
InChIKeyNUDZOLZCQHSZLJ-ZDUSSCGKSA-N
MW381.55 g/mol
LogP3.55
Rot. Bonds7

About 1-N,1-N-diethyl-4-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide

1-N,1-N-diethyl-4-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide (PubChem CID 94858097) has the molecular formula C18H31N5O2S and a molecular weight of 381.55 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide
PubChem CID94858097
Molecular FormulaC18H31N5O2S
Molecular Weight381.55 g/mol
Exact Mass381.22
IUPAC Name1-N,1-N-diethyl-4-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide
SMILESCCC[C@H](C)c1nnc(NC(=O)C2CCN(C(=O)N(CC)CC)CC2)s1
InChIInChI=1S/C18H31N5O2S/c1-5-8-13(4)16-20-21-17(26-16)19-15(24)14-9-11-23(12-10-14)18(25)22(6-2)7-3/h13-14H,5-12H2,1-4H3,(H,19,21,24)/t13-/m0/s1
InChIKeyNUDZOLZCQHSZLJ-ZDUSSCGKSA-N
XLogP3.55
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorobenzoyl)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 41025280
4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56920172
1-(2,2-dimethylpropanoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17224450
1-N,1-N-diethyl-4-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide
CID 56922742
(3S)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 7438469
(3R)-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]-1-phenylpyrrolidine-3-carboxamide
CID 7438133
1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 1458195
1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17018978
(3S)-1-(2-methylphenyl)-5-oxo-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 7449847
1-(2-methylphenyl)-5-oxo-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 6497310
4-N-(3,5-dichlorophenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56923410
1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide
CID 46428887

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N-diethyl-4-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide (CID 94858097) is 1-N,1-N-diethyl-4-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide is CCC[C@H](C)c1nnc(NC(=O)C2CCN(C(=O)N(CC)CC)CC2)s1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide?
The InChIKey is NUDZOLZCQHSZLJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H31N5O2S/c1-5-8-13(4)16-20-21-17(26-16)19-15(24)14-9-11-23(12-10-14)18(25)22(6-2)7-3/h13-14H,5-12H2,1-4H3,(H,19,21,24)/t13-/m0/s1.
What are the key properties of 1-N,1-N-diethyl-4-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide?
1-N,1-N-diethyl-4-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide has a molecular weight of 381.55 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 94858097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).