4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide

C22H30N4O2S — CID 175362326

IUPAC4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(CCCN2CCC(CNC3CC3c3ccccc3)CC2)nc1O
InChIInChI=1S/C22H30N4O2S/c23-21(27)20-22(28)25-19(29-20)7-4-10-26-11-8-15(9-12-26)14-24-18-13-17(18)16-5-2-1-3-6-16/h1-3,5-6,15,17-18,24,28H,4,7-14H2,(H2,23,27)
InChIKeyVNYFTLHTYPVXEU-UHFFFAOYSA-N
MW414.58 g/mol
LogP2.74
Rot. Bonds9

About 4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide

4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide (PubChem CID 175362326) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is 4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide
PubChem CID175362326
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC Name4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(CCCN2CCC(CNC3CC3c3ccccc3)CC2)nc1O
InChIInChI=1S/C22H30N4O2S/c23-21(27)20-22(28)25-19(29-20)7-4-10-26-11-8-15(9-12-26)14-24-18-13-17(18)16-5-2-1-3-6-16/h1-3,5-6,15,17-18,24,28H,4,7-14H2,(H2,23,27)
InChIKeyVNYFTLHTYPVXEU-UHFFFAOYSA-N
XLogP2.74
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
CID 66571126
N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
CID 162640822
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide
CID 174937674
tert-butyl 4-[[[(2R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 138722566
tert-butyl 4-[[[(1S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 70810888
N-(2-aminophenyl)-4-[3-[4-[[[(1S,2R)-2-(1-phenylpyrazol-4-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
CID 169179898
4-[[4-[[[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid
CID 66571592
2-(2-aminophenyl)-4-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]sulfonylbenzamide
CID 175362384
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine
CID 66571066
N-(2-amino-5-fluorophenyl)-4-[3-[4-[[[2-(4-fluorophenyl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid
CID 175752358

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide (CID 175362326) is 4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide is NC(=O)c1sc(CCCN2CCC(CNC3CC3c3ccccc3)CC2)nc1O.
What is the InChIKey of 4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VNYFTLHTYPVXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c23-21(27)20-22(28)25-19(29-20)7-4-10-26-11-8-15(9-12-26)14-24-18-13-17(18)16-5-2-1-3-6-16/h1-3,5-6,15,17-18,24,28H,4,7-14H2,(H2,23,27).
What are the key properties of 4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide?
4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 414.58 g/mol, XLogP of 2.74, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 175362326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).