N'-[(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide

C17H12ClN5O2S — CID 3709112

IUPACN'-[(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C17H12ClN5O2S/c18-13-8-6-11(7-9-13)10-19-21-15(25)14(24)20-17-23-22-16(26-17)12-4-2-1-3-5-12/h1-10H,(H,21,25)(H,20,23,24)
InChIKeyQLYYXMGXVONAKB-UHFFFAOYSA-N
MW385.84 g/mol
LogP2.95
Rot. Bonds4

About N'-[(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide

N'-[(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide (PubChem CID 3709112) has the molecular formula C17H12ClN5O2S and a molecular weight of 385.84 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
PubChem CID3709112
Molecular FormulaC17H12ClN5O2S
Molecular Weight385.84 g/mol
Exact Mass385.04
IUPAC NameN'-[(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C17H12ClN5O2S/c18-13-8-6-11(7-9-13)10-19-21-15(25)14(24)20-17-23-22-16(26-17)12-4-2-1-3-5-12/h1-10H,(H,21,25)(H,20,23,24)
InChIKeyQLYYXMGXVONAKB-UHFFFAOYSA-N
XLogP2.95
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
CID 6261906
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
CID 135615229
[2-methoxy-4-[[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 4232293
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
CID 135678785
N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
CID 3740973
[4-[[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 3841025
N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
CID 136782190
N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
CID 136697606
[1-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 6185836
[3-[[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3857294
(2R,3R)-N-(4-chlorophenyl)-2,3-dihydroxy-N'-(5-phenyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 139078628
N'-[(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
CID 4640177

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide?
The IUPAC name of N'-[(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide (CID 3709112) is N'-[(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide?
The canonical SMILES for N'-[(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide is O=C(NN=Cc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of N'-[(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide?
The InChIKey is QLYYXMGXVONAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O2S/c18-13-8-6-11(7-9-13)10-19-21-15(25)14(24)20-17-23-22-16(26-17)12-4-2-1-3-5-12/h1-10H,(H,21,25)(H,20,23,24).
What are the key properties of N'-[(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide?
N'-[(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide has a molecular weight of 385.84 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide is sourced from PubChem (CID 3709112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).