N-[(3R,4S)-4-hydroxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]oxane-4-carboxamide

C19H24N4O3S — CID 154568279

IUPACN-[(3R,4S)-4-hydroxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]oxane-4-carboxamide
SMILESO=C(N[C@@H]1CN(c2nnc(-c3ccccc3)s2)CC[C@@H]1O)C1CCOCC1
InChIInChI=1S/C19H24N4O3S/c24-16-6-9-23(12-15(16)20-17(25)13-7-10-26-11-8-13)19-22-21-18(27-19)14-4-2-1-3-5-14/h1-5,13,15-16,24H,6-12H2,(H,20,25)/t15-,16+/m1/s1
InChIKeyJGCWFAPRYRYSJP-CVEARBPZSA-N
MW388.49 g/mol
LogP1.69
Rot. Bonds4

About N-[(3R,4S)-4-hydroxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]oxane-4-carboxamide

N-[(3R,4S)-4-hydroxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]oxane-4-carboxamide (PubChem CID 154568279) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(3R,4S)-4-hydroxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-hydroxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]oxane-4-carboxamide
PubChem CID154568279
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[(3R,4S)-4-hydroxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]oxane-4-carboxamide
SMILESO=C(N[C@@H]1CN(c2nnc(-c3ccccc3)s2)CC[C@@H]1O)C1CCOCC1
InChIInChI=1S/C19H24N4O3S/c24-16-6-9-23(12-15(16)20-17(25)13-7-10-26-11-8-13)19-22-21-18(27-19)14-4-2-1-3-5-14/h1-5,13,15-16,24H,6-12H2,(H,20,25)/t15-,16+/m1/s1
InChIKeyJGCWFAPRYRYSJP-CVEARBPZSA-N
XLogP1.69
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-hydroxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3R,4S)-4-hydroxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]oxane-4-carboxamide (CID 154568279) is N-[(3R,4S)-4-hydroxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-hydroxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-hydroxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]oxane-4-carboxamide is O=C(N[C@@H]1CN(c2nnc(-c3ccccc3)s2)CC[C@@H]1O)C1CCOCC1.
What is the InChIKey of N-[(3R,4S)-4-hydroxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]oxane-4-carboxamide?
The InChIKey is JGCWFAPRYRYSJP-CVEARBPZSA-N. The full InChI is InChI=1S/C19H24N4O3S/c24-16-6-9-23(12-15(16)20-17(25)13-7-10-26-11-8-13)19-22-21-18(27-19)14-4-2-1-3-5-14/h1-5,13,15-16,24H,6-12H2,(H,20,25)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-hydroxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]oxane-4-carboxamide?
N-[(3R,4S)-4-hydroxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]oxane-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-hydroxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 154568279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).