N-phenyl-1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide

C22H25N5O2S3 — CID 24572513

IUPACN-phenyl-1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)CSc2nnc(NCCc3cccs3)s2)CC1
InChIInChI=1S/C22H25N5O2S3/c28-19(15-31-22-26-25-21(32-22)23-11-8-18-7-4-14-30-18)27-12-9-16(10-13-27)20(29)24-17-5-2-1-3-6-17/h1-7,14,16H,8-13,15H2,(H,23,25)(H,24,29)
InChIKeyKAHGIDBATAUJJH-UHFFFAOYSA-N
MW487.68 g/mol
LogP4.22
Rot. Bonds9

About N-phenyl-1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide

N-phenyl-1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide (PubChem CID 24572513) has the molecular formula C22H25N5O2S3 and a molecular weight of 487.68 g/mol. Its IUPAC name is N-phenyl-1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide
PubChem CID24572513
Molecular FormulaC22H25N5O2S3
Molecular Weight487.68 g/mol
Exact Mass487.12
IUPAC NameN-phenyl-1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)CSc2nnc(NCCc3cccs3)s2)CC1
InChIInChI=1S/C22H25N5O2S3/c28-19(15-31-22-26-25-21(32-22)23-11-8-18-7-4-14-30-18)27-12-9-16(10-13-27)20(29)24-17-5-2-1-3-6-17/h1-7,14,16H,8-13,15H2,(H,23,25)(H,24,29)
InChIKeyKAHGIDBATAUJJH-UHFFFAOYSA-N
XLogP4.22
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.68
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 16576646
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 46574933
ethyl 4-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate
CID 16576669
N-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide
CID 42041834
1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 16576809
N-cyclohexyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 51283622
N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide
CID 75413098
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24675443
N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16576812
1-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134654
1-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134656
N-(2-methylsulfonylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24562908

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide?
The IUPAC name of N-phenyl-1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide (CID 24572513) is N-phenyl-1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-phenyl-1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-phenyl-1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)CSc2nnc(NCCc3cccs3)s2)CC1.
What is the InChIKey of N-phenyl-1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide?
The InChIKey is KAHGIDBATAUJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S3/c28-19(15-31-22-26-25-21(32-22)23-11-8-18-7-4-14-30-18)27-12-9-16(10-13-27)20(29)24-17-5-2-1-3-6-17/h1-7,14,16H,8-13,15H2,(H,23,25)(H,24,29).
What are the key properties of N-phenyl-1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide?
N-phenyl-1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide has a molecular weight of 487.68 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 24572513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).