N,N'-bis(1,3-benzothiazol-2-yl)oxamide

C16H10N4O2S2 — CID 591706

IUPACN,N'-bis(1,3-benzothiazol-2-yl)oxamide
SMILESO=C(Nc1nc2ccccc2s1)C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C16H10N4O2S2/c21-13(19-15-17-9-5-1-3-7-11(9)23-15)14(22)20-16-18-10-6-2-4-8-12(10)24-16/h1-8H,(H,17,19,21)(H,18,20,22)
InChIKeyYKRNHPCAFHIKTG-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.48
Rot. Bonds2

About N,N'-bis(1,3-benzothiazol-2-yl)oxamide

N,N'-bis(1,3-benzothiazol-2-yl)oxamide (PubChem CID 591706) has the molecular formula C16H10N4O2S2 and a molecular weight of 354.42 g/mol. Its IUPAC name is N,N'-bis(1,3-benzothiazol-2-yl)oxamide.

Molecular Properties

Compound NameN,N'-bis(1,3-benzothiazol-2-yl)oxamide
PubChem CID591706
Molecular FormulaC16H10N4O2S2
Molecular Weight354.42 g/mol
Exact Mass354.02
IUPAC NameN,N'-bis(1,3-benzothiazol-2-yl)oxamide
SMILESO=C(Nc1nc2ccccc2s1)C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C16H10N4O2S2/c21-13(19-15-17-9-5-1-3-7-11(9)23-15)14(22)20-16-18-10-6-2-4-8-12(10)24-16/h1-8H,(H,17,19,21)(H,18,20,22)
InChIKeyYKRNHPCAFHIKTG-UHFFFAOYSA-N
XLogP3.48
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
2-(1,3-benzothiazol-2-ylcarbamoyloxy)ethyl N-(1,3-benzothiazol-2-yl)carbamate;hydrochloride
CID 54599741
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
(Z)-N-(1,3-benzothiazol-2-yl)-4-hydroxy-2-oxo-4-phenylbut-3-enamide
CID 154699140
N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 103429378
1-(1,3-benzothiazol-2-yl)-3-methylurea;molecular hydrogen
CID 143832534
N-(1,3-benzothiazol-2-yl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 135822245
3-amino-N-(1,3-benzothiazol-2-yl)-2-cyanoprop-2-enamide
CID 75082550
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
1-(1,3-benzothiazol-2-yl)-3-(trideuteriomethyl)urea
CID 163322182
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1,3-benzothiazol-2-yl)oxamide?
The IUPAC name of N,N'-bis(1,3-benzothiazol-2-yl)oxamide (CID 591706) is N,N'-bis(1,3-benzothiazol-2-yl)oxamide.
What is the SMILES notation for N,N'-bis(1,3-benzothiazol-2-yl)oxamide?
The canonical SMILES for N,N'-bis(1,3-benzothiazol-2-yl)oxamide is O=C(Nc1nc2ccccc2s1)C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N,N'-bis(1,3-benzothiazol-2-yl)oxamide?
The InChIKey is YKRNHPCAFHIKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2S2/c21-13(19-15-17-9-5-1-3-7-11(9)23-15)14(22)20-16-18-10-6-2-4-8-12(10)24-16/h1-8H,(H,17,19,21)(H,18,20,22).
What are the key properties of N,N'-bis(1,3-benzothiazol-2-yl)oxamide?
N,N'-bis(1,3-benzothiazol-2-yl)oxamide has a molecular weight of 354.42 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1,3-benzothiazol-2-yl)oxamide is sourced from PubChem (CID 591706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).