2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide

C16H12Cl2N2OS — CID 4187487

IUPAC2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCn1/c(=N/C(=O)c2ccccc2Cl)sc2cccc(Cl)c21
InChIInChI=1S/C16H12Cl2N2OS/c1-2-20-14-12(18)8-5-9-13(14)22-16(20)19-15(21)10-6-3-4-7-11(10)17/h3-9H,2H2,1H3/b19-16-
InChIKeyIQZYYWCEDFSDKP-MNDPQUGUSA-N
MW351.26 g/mol
LogP4.77
Rot. Bonds2

About 2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide

2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 4187487) has the molecular formula C16H12Cl2N2OS and a molecular weight of 351.26 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID4187487
Molecular FormulaC16H12Cl2N2OS
Molecular Weight351.26 g/mol
Exact Mass350.00
IUPAC Name2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCn1/c(=N/C(=O)c2ccccc2Cl)sc2cccc(Cl)c21
InChIInChI=1S/C16H12Cl2N2OS/c1-2-20-14-12(18)8-5-9-13(14)22-16(20)19-15(21)10-6-3-4-7-11(10)17/h3-9H,2H2,1H3/b19-16-
InChIKeyIQZYYWCEDFSDKP-MNDPQUGUSA-N
XLogP4.77
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4189411
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 4192621
3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5222427
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 41001431
N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 41203162
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
CID 2105025
2-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151031
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide
CID 42387958
ethyl 2-[4-chloro-2-(naphthalene-1-carbonylimino)-1,3-benzothiazol-3-yl]acetate
CID 41204310
N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide
CID 2104662
N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide
CID 40885342
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 4657833

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 4187487) is 2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide is CCn1/c(=N/C(=O)c2ccccc2Cl)sc2cccc(Cl)c21.
What is the InChIKey of 2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is IQZYYWCEDFSDKP-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H12Cl2N2OS/c1-2-20-14-12(18)8-5-9-13(14)22-16(20)19-15(21)10-6-3-4-7-11(10)17/h3-9H,2H2,1H3/b19-16-.
What are the key properties of 2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide?
2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 351.26 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 4187487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).