2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]acetamide

C17H13Cl2N3OS2 — CID 7463335

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2N3OS2/c1-10(12-7-6-11(18)8-13(12)19)21-22-16(23)9-24-17-20-14-4-2-3-5-15(14)25-17/h2-8H,9H2,1H3,(H,22,23)/b21-10+
InChIKeySUAHVNAEQSUOHB-UFFVCSGVSA-N
MW410.35 g/mol
LogP5.24
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]acetamide (PubChem CID 7463335) has the molecular formula C17H13Cl2N3OS2 and a molecular weight of 410.35 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]acetamide
PubChem CID7463335
Molecular FormulaC17H13Cl2N3OS2
Molecular Weight410.35 g/mol
Exact Mass408.99
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2N3OS2/c1-10(12-7-6-11(18)8-13(12)19)21-22-16(23)9-24-17-20-14-4-2-3-5-15(14)25-17/h2-8H,9H2,1H3,(H,22,23)/b21-10+
InChIKeySUAHVNAEQSUOHB-UFFVCSGVSA-N
XLogP5.24
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.35
LogP ≤ 55.24
H-Bond Donors ≤ 51
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-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]acetamide
CID 9358699
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]acetamide
CID 6184613
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]acetamide
CID 135953187
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(hex-5-en-2-ylideneamino)acetamide
CID 2878154
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]acetamide
CID 135640948
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 4054612
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide
CID 1371097
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 46300612
2,4-dichloro-N-[2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
CID 23764949
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 4045804
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 40617475
N-(4-acetamidophenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1348443

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]acetamide (CID 7463335) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]acetamide is C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]acetamide?
The InChIKey is SUAHVNAEQSUOHB-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H13Cl2N3OS2/c1-10(12-7-6-11(18)8-13(12)19)21-22-16(23)9-24-17-20-14-4-2-3-5-15(14)25-17/h2-8H,9H2,1H3,(H,22,23)/b21-10+.
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]acetamide has a molecular weight of 410.35 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 7463335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).