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

C22H30N4O2S — CID 162675460

IUPACN-hydroxy-2-[3-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)s1
InChIInChI=1S/C22H30N4O2S/c27-22(25-28)20-15-24-21(29-20)7-4-10-26-11-8-16(9-12-26)14-23-19-13-18(19)17-5-2-1-3-6-17/h1-3,5-6,15-16,18-19,23,28H,4,7-14H2,(H,25,27)/t18-,19+/m1/s1
InChIKeyJZVXHLNIORJHPD-MOPGFXCFSA-N
MW414.58 g/mol
LogP3.05
Rot. Bonds9

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

N-hydroxy-2-[3-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide (PubChem CID 162675460) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is N-hydroxy-2-[3-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide
PubChem CID162675460
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC NameN-hydroxy-2-[3-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cnc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)s1
InChIInChI=1S/C22H30N4O2S/c27-22(25-28)20-15-24-21(29-20)7-4-10-26-11-8-16(9-12-26)14-23-19-13-18(19)17-5-2-1-3-6-17/h1-3,5-6,15-16,18-19,23,28H,4,7-14H2,(H,25,27)/t18-,19+/m1/s1
InChIKeyJZVXHLNIORJHPD-MOPGFXCFSA-N
XLogP3.05
TPSA77.49 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 ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[3-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[3-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide (CID 162675460) is N-hydroxy-2-[3-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[3-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[3-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide is O=C(NO)c1cnc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)s1.
What is the InChIKey of N-hydroxy-2-[3-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is JZVXHLNIORJHPD-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H30N4O2S/c27-22(25-28)20-15-24-21(29-20)7-4-10-26-11-8-16(9-12-26)14-23-19-13-18(19)17-5-2-1-3-6-17/h1-3,5-6,15-16,18-19,23,28H,4,7-14H2,(H,25,27)/t18-,19+/m1/s1.
What are the key properties of N-hydroxy-2-[3-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide?
N-hydroxy-2-[3-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 414.58 g/mol, XLogP of 3.05, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162675460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).