N'-hydroxy-N-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)heptanediamide

C19H20N4O3S — CID 118716305

IUPACN'-hydroxy-N-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)heptanediamide
SMILESO=C(CCCCCC(=O)Nc1nnc(-c2cccc3ccccc23)s1)NO
InChIInChI=1S/C19H20N4O3S/c24-16(11-2-1-3-12-17(25)23-26)20-19-22-21-18(27-19)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,26H,1-3,11-12H2,(H,23,25)(H,20,22,24)
InChIKeyMGCBMUOPPLDPPB-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.75
Rot. Bonds8

About N'-hydroxy-N-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)heptanediamide

N'-hydroxy-N-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)heptanediamide (PubChem CID 118716305) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N'-hydroxy-N-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)heptanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)heptanediamide
PubChem CID118716305
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN'-hydroxy-N-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)heptanediamide
SMILESO=C(CCCCCC(=O)Nc1nnc(-c2cccc3ccccc23)s1)NO
InChIInChI=1S/C19H20N4O3S/c24-16(11-2-1-3-12-17(25)23-26)20-19-22-21-18(27-19)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,26H,1-3,11-12H2,(H,23,25)(H,20,22,24)
InChIKeyMGCBMUOPPLDPPB-UHFFFAOYSA-N
XLogP3.75
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

N-[5-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 45269232
N'-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide
CID 118716287
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide
CID 118716289
N'-hydroxy-N-[5-(4-iodophenyl)-1,3,4-thiadiazol-2-yl]heptanediamide
CID 118716294
2-(naphthalen-1-yl)-N-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)acetamide
CID 5077244
N'-hydroxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]heptanediamide
CID 118716297
US9938267, Cmpd ID 632
CID 74982810
4-butyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide
CID 4160336
N-[5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide
CID 50993636
N'-hydroxy-N-[5-(4-phenylphenyl)-1,3,4-thiadiazol-2-yl]heptanediamide
CID 118716288
N'-hydroxy-N-[5-(4-phenylphenyl)-1,3,4-thiadiazol-2-yl]octanediamide
CID 118716299
N'-hydroxy-N-[5-(4-iodophenyl)-1,3,4-thiadiazol-2-yl]octanediamide
CID 118716302

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)heptanediamide?
The IUPAC name of N'-hydroxy-N-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)heptanediamide (CID 118716305) is N'-hydroxy-N-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)heptanediamide.
What is the SMILES notation for N'-hydroxy-N-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)heptanediamide?
The canonical SMILES for N'-hydroxy-N-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)heptanediamide is O=C(CCCCCC(=O)Nc1nnc(-c2cccc3ccccc23)s1)NO.
What is the InChIKey of N'-hydroxy-N-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)heptanediamide?
The InChIKey is MGCBMUOPPLDPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c24-16(11-2-1-3-12-17(25)23-26)20-19-22-21-18(27-19)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,26H,1-3,11-12H2,(H,23,25)(H,20,22,24).
What are the key properties of N'-hydroxy-N-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)heptanediamide?
N'-hydroxy-N-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)heptanediamide has a molecular weight of 384.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)heptanediamide is sourced from PubChem (CID 118716305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).