N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide

C11H10N4O2S — CID 168522593

IUPACN-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide
SMILESCOc1cc(NC(=O)CC#N)cc2sc(N)nc12
InChIInChI=1S/C11H10N4O2S/c1-17-7-4-6(14-9(16)2-3-12)5-8-10(7)15-11(13)18-8/h4-5H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyDQQWZVSDNTXTIU-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.74
Rot. Bonds3

About N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide

N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide (PubChem CID 168522593) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide
PubChem CID168522593
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC NameN-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide
SMILESCOc1cc(NC(=O)CC#N)cc2sc(N)nc12
InChIInChI=1S/C11H10N4O2S/c1-17-7-4-6(14-9(16)2-3-12)5-8-10(7)15-11(13)18-8/h4-5H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyDQQWZVSDNTXTIU-UHFFFAOYSA-N
XLogP1.74
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 91680806
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide
CID 91680807
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide
CID 91680564
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680458
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 91680626
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide
CID 91680609
(2S)-N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 100804759
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide
CID 91680334
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide
CID 131932481
2-cyano-N-(3-ethyl-4-methoxyphenyl)acetamide
CID 115172874
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
CID 3854691
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
CID 91680662

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide?
The IUPAC name of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide (CID 168522593) is N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide.
What is the SMILES notation for N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide?
The canonical SMILES for N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide is COc1cc(NC(=O)CC#N)cc2sc(N)nc12.
What is the InChIKey of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide?
The InChIKey is DQQWZVSDNTXTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-17-7-4-6(14-9(16)2-3-12)5-8-10(7)15-11(13)18-8/h4-5H,2H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide?
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide has a molecular weight of 262.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide is sourced from PubChem (CID 168522593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).