N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide

C19H14N6O2S — CID 136697606

IUPACN'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
SMILESO=C(N/N=C\c1c[nH]c2ccccc12)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C19H14N6O2S/c26-16(22-19-25-24-18(28-19)12-6-2-1-3-7-12)17(27)23-21-11-13-10-20-15-9-5-4-8-14(13)15/h1-11,20H,(H,23,27)(H,22,25,26)/b21-11-
InChIKeyLMYVXHXELUBLCY-NHDPSOOVSA-N
MW390.43 g/mol
LogP2.78
Rot. Bonds4

About N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide

N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide (PubChem CID 136697606) has the molecular formula C19H14N6O2S and a molecular weight of 390.43 g/mol. Its IUPAC name is N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
PubChem CID136697606
Molecular FormulaC19H14N6O2S
Molecular Weight390.43 g/mol
Exact Mass390.09
IUPAC NameN'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
SMILESO=C(N/N=C\c1c[nH]c2ccccc12)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C19H14N6O2S/c26-16(22-19-25-24-18(28-19)12-6-2-1-3-7-12)17(27)23-21-11-13-10-20-15-9-5-4-8-14(13)15/h1-11,20H,(H,23,27)(H,22,25,26)/b21-11-
InChIKeyLMYVXHXELUBLCY-NHDPSOOVSA-N
XLogP2.78
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.78
H-Bond Donors ≤ 53
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'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
CID 135678785
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-phenyloxamide
CID 136730238
N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide
CID 136679012
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
CID 136782190
N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135606051
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
CID 135615229
N'-[(4-chlorophenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
CID 3709112
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide
CID 135814036
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
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'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide?
The IUPAC name of N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide (CID 136697606) is N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide.
What is the SMILES notation for N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide?
The canonical SMILES for N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide is O=C(N/N=C\c1c[nH]c2ccccc12)C(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide?
The InChIKey is LMYVXHXELUBLCY-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H14N6O2S/c26-16(22-19-25-24-18(28-19)12-6-2-1-3-7-12)17(27)23-21-11-13-10-20-15-9-5-4-8-14(13)15/h1-11,20H,(H,23,27)(H,22,25,26)/b21-11-.
What are the key properties of N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide?
N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide has a molecular weight of 390.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide is sourced from PubChem (CID 136697606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).