[1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol

C17H24N4OS — CID 131890059

IUPAC[1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CCCNc2nnc(-c3ccccc3)s2)C1
InChIInChI=1S/C17H24N4OS/c22-13-14-6-4-10-21(12-14)11-5-9-18-17-20-19-16(23-17)15-7-2-1-3-8-15/h1-3,7-8,14,22H,4-6,9-13H2,(H,18,20)
InChIKeyVDGMUTAMWYJPIM-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.71
Rot. Bonds7

About [1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol

[1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol (PubChem CID 131890059) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is [1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol
PubChem CID131890059
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name[1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CCCNc2nnc(-c3ccccc3)s2)C1
InChIInChI=1S/C17H24N4OS/c22-13-14-6-4-10-21(12-14)11-5-9-18-17-20-19-16(23-17)15-7-2-1-3-8-15/h1-3,7-8,14,22H,4-6,9-13H2,(H,18,20)
InChIKeyVDGMUTAMWYJPIM-UHFFFAOYSA-N
XLogP2.71
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412
[1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol
CID 111442430
1-cyclopropyl-3-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-1-(thiophen-3-ylmethyl)urea
CID 121496928
[1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol
CID 131919569
[(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol
CID 95873826
N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442238
[(3S)-1-(4-phenylbutyl)pyrrolidin-3-yl]methanol
CID 129380566
2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 131951666
4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 91841476
4-(3-fluorophenyl)-N-[3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 124754991
[(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol
CID 95132932
1-cyclopropyl-3-[3-[(3S)-3-(hydroxymethyl)piperidin-1-yl]propyl]-1-[(3-hydroxyphenyl)methyl]urea
CID 126436449

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol (CID 131890059) is [1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol is OCC1CCCN(CCCNc2nnc(-c3ccccc3)s2)C1.
What is the InChIKey of [1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol?
The InChIKey is VDGMUTAMWYJPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c22-13-14-6-4-10-21(12-14)11-5-9-18-17-20-19-16(23-17)15-7-2-1-3-8-15/h1-3,7-8,14,22H,4-6,9-13H2,(H,18,20).
What are the key properties of [1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol?
[1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol has a molecular weight of 332.47 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol is sourced from PubChem (CID 131890059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).