1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(1S)-1-pyridin-3-ylpropyl]piperidin-4-amine

C21H25N5S — CID 97445796

IUPAC1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(1S)-1-pyridin-3-ylpropyl]piperidin-4-amine
SMILESCC[C@H](NC1CCN(c2nnc(-c3ccccc3)s2)CC1)c1cccnc1
InChIInChI=1S/C21H25N5S/c1-2-19(17-9-6-12-22-15-17)23-18-10-13-26(14-11-18)21-25-24-20(27-21)16-7-4-3-5-8-16/h3-9,12,15,18-19,23H,2,10-11,13-14H2,1H3/t19-/m0/s1
InChIKeyWXOWDLZSXPSZJK-IBGZPJMESA-N
MW379.53 g/mol
LogP4.31
Rot. Bonds6

About 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(1S)-1-pyridin-3-ylpropyl]piperidin-4-amine

1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(1S)-1-pyridin-3-ylpropyl]piperidin-4-amine (PubChem CID 97445796) has the molecular formula C21H25N5S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(1S)-1-pyridin-3-ylpropyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(1S)-1-pyridin-3-ylpropyl]piperidin-4-amine
PubChem CID97445796
Molecular FormulaC21H25N5S
Molecular Weight379.53 g/mol
Exact Mass379.18
IUPAC Name1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(1S)-1-pyridin-3-ylpropyl]piperidin-4-amine
SMILESCC[C@H](NC1CCN(c2nnc(-c3ccccc3)s2)CC1)c1cccnc1
InChIInChI=1S/C21H25N5S/c1-2-19(17-9-6-12-22-15-17)23-18-10-13-26(14-11-18)21-25-24-20(27-21)16-7-4-3-5-8-16/h3-9,12,15,18-19,23H,2,10-11,13-14H2,1H3/t19-/m0/s1
InChIKeyWXOWDLZSXPSZJK-IBGZPJMESA-N
XLogP4.31
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(1S)-1-pyridin-3-ylpropyl]piperidin-4-amine 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-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
CID 649971
1-(4-Methylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
CID 881003
N-phenyl-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 946930
Allyl-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-amine
CID 1933398
2-Isoquinolin-5-yl-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 58430684
N-methyl-5-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 90282440
N-(4-ethylphenyl)-4-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-4-ium-2-amine chloride
CID 24789696
2-(4-Piperidin-1-ylpiperidin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
CID 53317858
1,3,4-Thiadiazol-2-amine, N-phenyl-5-(4-pyridinyl)-
CID 840345
2-Ethylamino-5-(4-pyridyl)-1,3,4-thiadiazole
CID 776566
5-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 2803003
N-(1-benzylpiperidin-4-yl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 5307224

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(1S)-1-pyridin-3-ylpropyl]piperidin-4-amine?
The IUPAC name of 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(1S)-1-pyridin-3-ylpropyl]piperidin-4-amine (CID 97445796) is 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(1S)-1-pyridin-3-ylpropyl]piperidin-4-amine.
What is the SMILES notation for 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(1S)-1-pyridin-3-ylpropyl]piperidin-4-amine?
The canonical SMILES for 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(1S)-1-pyridin-3-ylpropyl]piperidin-4-amine is CC[C@H](NC1CCN(c2nnc(-c3ccccc3)s2)CC1)c1cccnc1.
What is the InChIKey of 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(1S)-1-pyridin-3-ylpropyl]piperidin-4-amine?
The InChIKey is WXOWDLZSXPSZJK-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N5S/c1-2-19(17-9-6-12-22-15-17)23-18-10-13-26(14-11-18)21-25-24-20(27-21)16-7-4-3-5-8-16/h3-9,12,15,18-19,23H,2,10-11,13-14H2,1H3/t19-/m0/s1.
What are the key properties of 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(1S)-1-pyridin-3-ylpropyl]piperidin-4-amine?
1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(1S)-1-pyridin-3-ylpropyl]piperidin-4-amine has a molecular weight of 379.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(1S)-1-pyridin-3-ylpropyl]piperidin-4-amine is sourced from PubChem (CID 97445796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).