2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide

C16H11Cl3N2OS — CID 4189411

IUPAC2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCn1/c(=N/C(=O)c2cc(Cl)ccc2Cl)sc2cccc(Cl)c21
InChIInChI=1S/C16H11Cl3N2OS/c1-2-21-14-12(19)4-3-5-13(14)23-16(21)20-15(22)10-8-9(17)6-7-11(10)18/h3-8H,2H2,1H3/b20-16-
InChIKeyODOCZHFYZWAKTI-SILNSSARSA-N
MW385.70 g/mol
LogP5.42
Rot. Bonds2

About 2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide

2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 4189411) has the molecular formula C16H11Cl3N2OS and a molecular weight of 385.70 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID4189411
Molecular FormulaC16H11Cl3N2OS
Molecular Weight385.70 g/mol
Exact Mass383.97
IUPAC Name2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCn1/c(=N/C(=O)c2cc(Cl)ccc2Cl)sc2cccc(Cl)c21
InChIInChI=1S/C16H11Cl3N2OS/c1-2-21-14-12(19)4-3-5-13(14)23-16(21)20-15(22)10-8-9(17)6-7-11(10)18/h3-8H,2H2,1H3/b20-16-
InChIKeyODOCZHFYZWAKTI-SILNSSARSA-N
XLogP5.42
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.70
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 4189411) is 2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide is CCn1/c(=N/C(=O)c2cc(Cl)ccc2Cl)sc2cccc(Cl)c21.
What is the InChIKey of 2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is ODOCZHFYZWAKTI-SILNSSARSA-N. The full InChI is InChI=1S/C16H11Cl3N2OS/c1-2-21-14-12(19)4-3-5-13(14)23-16(21)20-15(22)10-8-9(17)6-7-11(10)18/h3-8H,2H2,1H3/b20-16-.
What are the key properties of 2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide?
2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 385.70 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 4189411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).