1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

C22H25N5OS — CID 5307370

IUPAC1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCN(c2nnc(-n3cccc3)s2)CC1
InChIInChI=1S/C22H25N5OS/c28-20(23-19-9-5-7-16-6-1-2-8-18(16)19)17-10-14-27(15-11-17)22-25-24-21(29-22)26-12-3-4-13-26/h1-4,6,8,12-13,17,19H,5,7,9-11,14-15H2,(H,23,28)
InChIKeyZPNBYFLDYUVCJT-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.74
Rot. Bonds4

About 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (PubChem CID 5307370) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
PubChem CID5307370
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC Name1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCN(c2nnc(-n3cccc3)s2)CC1
InChIInChI=1S/C22H25N5OS/c28-20(23-19-9-5-7-16-6-1-2-8-18(16)19)17-10-14-27(15-11-17)22-25-24-21(29-22)26-12-3-4-13-26/h1-4,6,8,12-13,17,19H,5,7,9-11,14-15H2,(H,23,28)
InChIKeyZPNBYFLDYUVCJT-UHFFFAOYSA-N
XLogP3.74
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(Phenylmethyl)piperidin-1-Yl]-[1-(5-Pyrrol-1-Yl-1,3,4-Thiadiazol-2-Yl)piperidin-4-Yl]methanone
CID 20926352
3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-4-piperidyl]methanone
CID 5308742
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 3244220
N-[4-[(4-methyl-1-piperidinyl)methyl]phenyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide
CID 5309189
1-({1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl}carbonyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3240265
N-(1-benzylpiperidin-4-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 5307552
N-(3-phenylpropyl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 5307781
N-[2-(N-ethylanilino)ethyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 5308042
N-(4-Phenylbutan-2-YL)-1-[5-(1H-pyrrol-1-YL)-1,3,4-thiadiazol-2-YL]piperidine-4-carboxamide
CID 5308297
N-{2-[4-(Methylsulfanyl)phenyl]ethyl}-1-[5-(1H-pyrrol-1-YL)-1,3,4-thiadiazol-2-YL]piperidine-4-carboxamide
CID 9551382
1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 16011820
1-[5-(2,5-Dimethyl-1H-pyrrol-1-YL)-1,3,4-thiadiazol-2-YL]-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 16011854

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (CID 5307370) is 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is O=C(NC1CCCc2ccccc21)C1CCN(c2nnc(-n3cccc3)s2)CC1.
What is the InChIKey of 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The InChIKey is ZPNBYFLDYUVCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c28-20(23-19-9-5-7-16-6-1-2-8-18(16)19)17-10-14-27(15-11-17)22-25-24-21(29-22)26-12-3-4-13-26/h1-4,6,8,12-13,17,19H,5,7,9-11,14-15H2,(H,23,28).
What are the key properties of 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 5307370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).