N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(E)-1H-indol-3-ylmethylideneamino]oxyacetamide

C18H13ClN4O2S — CID 143516498

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-[(E)-1H-indol-3-ylmethylideneamino]oxyacetamide
SMILESO=C(CO/N=C/c1c[nH]c2ccccc12)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C18H13ClN4O2S/c19-12-5-6-15-16(7-12)26-18(22-15)23-17(24)10-25-21-9-11-8-20-14-4-2-1-3-13(11)14/h1-9,20H,10H2,(H,22,23,24)/b21-9+
InChIKeyWNPNCWNYEPHFTC-ZVBGSRNCSA-N
MW384.85 g/mol
LogP4.42
Rot. Bonds5

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(E)-1H-indol-3-ylmethylideneamino]oxyacetamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(E)-1H-indol-3-ylmethylideneamino]oxyacetamide (PubChem CID 143516498) has the molecular formula C18H13ClN4O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(E)-1H-indol-3-ylmethylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-[(E)-1H-indol-3-ylmethylideneamino]oxyacetamide
PubChem CID143516498
Molecular FormulaC18H13ClN4O2S
Molecular Weight384.85 g/mol
Exact Mass384.04
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-[(E)-1H-indol-3-ylmethylideneamino]oxyacetamide
SMILESO=C(CO/N=C/c1c[nH]c2ccccc12)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C18H13ClN4O2S/c19-12-5-6-15-16(7-12)26-18(22-15)23-17(24)10-25-21-9-11-8-20-14-4-2-1-3-13(11)14/h1-9,20H,10H2,(H,22,23,24)/b21-9+
InChIKeyWNPNCWNYEPHFTC-ZVBGSRNCSA-N
XLogP4.42
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 54783479
N-(6-chloro-1,3-benzothiazol-2-yl)-4-oxo-4-phenylbutanamide
CID 71454867
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 108761849
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 2109067
N-(6-hydroxy-1,3-benzothiazol-2-yl)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyacetamide
CID 143516562
(2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135811914
N-(6-bromo-1,3-benzothiazol-2-yl)-4-(1H-indol-3-yl)butanamide
CID 20968977
6-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-oxohexanoic acid
CID 43529458
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide
CID 107020051
3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide
CID 7948398
2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 7544410

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(E)-1H-indol-3-ylmethylideneamino]oxyacetamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(E)-1H-indol-3-ylmethylideneamino]oxyacetamide (CID 143516498) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(E)-1H-indol-3-ylmethylideneamino]oxyacetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(E)-1H-indol-3-ylmethylideneamino]oxyacetamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(E)-1H-indol-3-ylmethylideneamino]oxyacetamide is O=C(CO/N=C/c1c[nH]c2ccccc12)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(E)-1H-indol-3-ylmethylideneamino]oxyacetamide?
The InChIKey is WNPNCWNYEPHFTC-ZVBGSRNCSA-N. The full InChI is InChI=1S/C18H13ClN4O2S/c19-12-5-6-15-16(7-12)26-18(22-15)23-17(24)10-25-21-9-11-8-20-14-4-2-1-3-13(11)14/h1-9,20H,10H2,(H,22,23,24)/b21-9+.
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(E)-1H-indol-3-ylmethylideneamino]oxyacetamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(E)-1H-indol-3-ylmethylideneamino]oxyacetamide has a molecular weight of 384.85 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(E)-1H-indol-3-ylmethylideneamino]oxyacetamide is sourced from PubChem (CID 143516498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).