(3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C18H25N7O2S — CID 51962530

IUPAC(3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(CN1CCC[C@H](C(=O)Nc2nncs2)C1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C18H25N7O2S/c26-16(21-15-7-8-20-25(15)14-5-1-2-6-14)11-24-9-3-4-13(10-24)17(27)22-18-23-19-12-28-18/h7-8,12-14H,1-6,9-11H2,(H,21,26)(H,22,23,27)/t13-/m0/s1
InChIKeyKBIHHUQOQDCGPK-ZDUSSCGKSA-N
MW403.51 g/mol
LogP2.14
Rot. Bonds6

About (3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

(3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 51962530) has the molecular formula C18H25N7O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is (3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID51962530
Molecular FormulaC18H25N7O2S
Molecular Weight403.51 g/mol
Exact Mass403.18
IUPAC Name(3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(CN1CCC[C@H](C(=O)Nc2nncs2)C1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C18H25N7O2S/c26-16(21-15-7-8-20-25(15)14-5-1-2-6-14)11-24-9-3-4-13(10-24)17(27)22-18-23-19-12-28-18/h7-8,12-14H,1-6,9-11H2,(H,21,26)(H,22,23,27)/t13-/m0/s1
InChIKeyKBIHHUQOQDCGPK-ZDUSSCGKSA-N
XLogP2.14
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-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

N-(1-{1-[2-(1H-pyrazol-1-yl)acetyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 25381393
N-(1-{1-[3-(1H-pyrazol-1-yl)propyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 26405004
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30183730
3-methyl-N-(1-{1-[(2-oxo-1-pyrrolidinyl)acetyl]-4-piperidinyl}-1H-pyrazol-5-yl)butanamide
CID 42308281
2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 47006256
N-(1-methyl-1H-pyrazol-3-yl)-2-[3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]acetamide
CID 56868277
N-[1-(propan-2-yl)-1H-pyrazol-5-yl]-2-{3-[(1H-1,2,4-triazol-1-yl)methyl]piperidin-1-yl}propanamide
CID 53590792
N-(2-cyclopentylpyrazol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8433882
N-(2-cyclopentylpyrazol-3-yl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8433883
N-(2-cyclopentylpyrazol-3-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8433884
N-(2-cyclopentylpyrazol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8433885
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 17556886

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 51962530) is (3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is O=C(CN1CCC[C@H](C(=O)Nc2nncs2)C1)Nc1ccnn1C1CCCC1.
What is the InChIKey of (3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is KBIHHUQOQDCGPK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N7O2S/c26-16(21-15-7-8-20-25(15)14-5-1-2-6-14)11-24-9-3-4-13(10-24)17(27)22-18-23-19-12-28-18/h7-8,12-14H,1-6,9-11H2,(H,21,26)(H,22,23,27)/t13-/m0/s1.
What are the key properties of (3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
(3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 51962530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).