N'-hydroxy-N-[5-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide

C19H25N5O4S — CID 118716283

IUPACN'-hydroxy-N-[5-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide
SMILESO=C(CCCCCC(=O)Nc1nnc(-c2ccc(N3CCOCC3)cc2)s1)NO
InChIInChI=1S/C19H25N5O4S/c25-16(4-2-1-3-5-17(26)23-27)20-19-22-21-18(29-19)14-6-8-15(9-7-14)24-10-12-28-13-11-24/h6-9,27H,1-5,10-13H2,(H,23,26)(H,20,22,25)
InChIKeyUYHANQDLEKPBQC-UHFFFAOYSA-N
MW419.51 g/mol
LogP2.44
Rot. Bonds9

About N'-hydroxy-N-[5-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide

N'-hydroxy-N-[5-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide (PubChem CID 118716283) has the molecular formula C19H25N5O4S and a molecular weight of 419.51 g/mol. Its IUPAC name is N'-hydroxy-N-[5-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[5-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide
PubChem CID118716283
Molecular FormulaC19H25N5O4S
Molecular Weight419.51 g/mol
Exact Mass419.16
IUPAC NameN'-hydroxy-N-[5-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide
SMILESO=C(CCCCCC(=O)Nc1nnc(-c2ccc(N3CCOCC3)cc2)s1)NO
InChIInChI=1S/C19H25N5O4S/c25-16(4-2-1-3-5-17(26)23-27)20-19-22-21-18(29-19)14-6-8-15(9-7-14)24-10-12-28-13-11-24/h6-9,27H,1-5,10-13H2,(H,23,26)(H,20,22,25)
InChIKeyUYHANQDLEKPBQC-UHFFFAOYSA-N
XLogP2.44
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-N-[5-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide?
The IUPAC name of N'-hydroxy-N-[5-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide (CID 118716283) is N'-hydroxy-N-[5-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide.
What is the SMILES notation for N'-hydroxy-N-[5-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide?
The canonical SMILES for N'-hydroxy-N-[5-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide is O=C(CCCCCC(=O)Nc1nnc(-c2ccc(N3CCOCC3)cc2)s1)NO.
What is the InChIKey of N'-hydroxy-N-[5-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide?
The InChIKey is UYHANQDLEKPBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4S/c25-16(4-2-1-3-5-17(26)23-27)20-19-22-21-18(29-19)14-6-8-15(9-7-14)24-10-12-28-13-11-24/h6-9,27H,1-5,10-13H2,(H,23,26)(H,20,22,25).
What are the key properties of N'-hydroxy-N-[5-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide?
N'-hydroxy-N-[5-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide has a molecular weight of 419.51 g/mol, XLogP of 2.44, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[5-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide is sourced from PubChem (CID 118716283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).