2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C17H14Cl2N2OS — CID 41047770

IUPAC2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cc2s/c(=N\C(=O)c3cc(Cl)ccc3Cl)n(C)c2cc1C
InChIInChI=1S/C17H14Cl2N2OS/c1-9-6-14-15(7-10(9)2)23-17(21(14)3)20-16(22)12-8-11(18)4-5-13(12)19/h4-8H,1-3H3/b20-17-
InChIKeyORBRZTRJMNPENZ-JZJYNLBNSA-N
MW365.29 g/mol
LogP4.90
Rot. Bonds1

About 2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 41047770) has the molecular formula C17H14Cl2N2OS and a molecular weight of 365.29 g/mol. Its IUPAC name is 2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID41047770
Molecular FormulaC17H14Cl2N2OS
Molecular Weight365.29 g/mol
Exact Mass364.02
IUPAC Name2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cc2s/c(=N\C(=O)c3cc(Cl)ccc3Cl)n(C)c2cc1C
InChIInChI=1S/C17H14Cl2N2OS/c1-9-6-14-15(7-10(9)2)23-17(21(14)3)20-16(22)12-8-11(18)4-5-13(12)19/h4-8H,1-3H3/b20-17-
InChIKeyORBRZTRJMNPENZ-JZJYNLBNSA-N
XLogP4.90
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 41048204
2,5-dichloro-N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 30680515
2,5-dichloro-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3563157
2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979791
3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43980164
2,5-dichloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885241
2,5-dichloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983980
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dichlorobenzamide
CID 4056926
3-methoxy-1-methyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide
CID 43980368
methyl 4-[(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 40697613
2-chloro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 41048157
4-chloro-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40508845

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 41047770) is 2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is Cc1cc2s/c(=N\C(=O)c3cc(Cl)ccc3Cl)n(C)c2cc1C.
What is the InChIKey of 2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is ORBRZTRJMNPENZ-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H14Cl2N2OS/c1-9-6-14-15(7-10(9)2)23-17(21(14)3)20-16(22)12-8-11(18)4-5-13(12)19/h4-8H,1-3H3/b20-17-.
What are the key properties of 2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 365.29 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 41047770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).