2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide

C15H11Cl2N3OS — CID 2354326

IUPAC2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
SMILESCn1c(=NNC(=O)c2cccc(Cl)c2Cl)sc2ccccc21
InChIInChI=1S/C15H11Cl2N3OS/c1-20-11-7-2-3-8-12(11)22-15(20)19-18-14(21)9-5-4-6-10(16)13(9)17/h2-8H,1H3,(H,18,21)
InChIKeyFZNVHKVMBPNMCI-UHFFFAOYSA-N
MW352.25 g/mol
LogP3.79
Rot. Bonds2

About 2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide

2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide (PubChem CID 2354326) has the molecular formula C15H11Cl2N3OS and a molecular weight of 352.25 g/mol. Its IUPAC name is 2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
PubChem CID2354326
Molecular FormulaC15H11Cl2N3OS
Molecular Weight352.25 g/mol
Exact Mass351.00
IUPAC Name2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
SMILESCn1c(=NNC(=O)c2cccc(Cl)c2Cl)sc2ccccc21
InChIInChI=1S/C15H11Cl2N3OS/c1-20-11-7-2-3-8-12(11)22-15(20)19-18-14(21)9-5-4-6-10(16)13(9)17/h2-8H,1H3,(H,18,21)
InChIKeyFZNVHKVMBPNMCI-UHFFFAOYSA-N
XLogP3.79
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 6900940
2,5-dichloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiophene-3-carboxamide
CID 7087730
2-fluoro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 6900936
2-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]quinoline-4-carboxamide
CID 18225855
1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide
CID 55756003
2-[cyclopropanecarbonyl(methyl)amino]-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 60550823
4-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-1H-pyrrole-2-carboxamide
CID 47118697
N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(propan-2-ylcarbamoylamino)benzamide
CID 60550796
2,5-dimethoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 16556778
5-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(tetrazol-1-yl)benzamide
CID 46438770
N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 6002872
N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2,4-dinitrobenzamide
CID 6998819

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide?
The IUPAC name of 2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide (CID 2354326) is 2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide?
The canonical SMILES for 2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide is Cn1c(=NNC(=O)c2cccc(Cl)c2Cl)sc2ccccc21.
What is the InChIKey of 2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide?
The InChIKey is FZNVHKVMBPNMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3OS/c1-20-11-7-2-3-8-12(11)22-15(20)19-18-14(21)9-5-4-6-10(16)13(9)17/h2-8H,1H3,(H,18,21).
What are the key properties of 2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide?
2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide has a molecular weight of 352.25 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide is sourced from PubChem (CID 2354326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).