3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C17H15ClN2OS — CID 40885113

IUPAC3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cc(C)c2s/c(=N\C(=O)c3cccc(Cl)c3)n(C)c2c1
InChIInChI=1S/C17H15ClN2OS/c1-10-7-11(2)15-14(8-10)20(3)17(22-15)19-16(21)12-5-4-6-13(18)9-12/h4-9H,1-3H3/b19-17-
InChIKeyNZKBZHNOAQCJKN-ZPHPHTNESA-N
MW330.84 g/mol
LogP4.25
Rot. Bonds1

About 3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 40885113) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID40885113
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cc(C)c2s/c(=N\C(=O)c3cccc(Cl)c3)n(C)c2c1
InChIInChI=1S/C17H15ClN2OS/c1-10-7-11(2)15-14(8-10)20(3)17(22-15)19-16(21)12-5-4-6-13(18)9-12/h4-9H,1-3H3/b19-17-
InChIKeyNZKBZHNOAQCJKN-ZPHPHTNESA-N
XLogP4.25
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 2159345
3-(benzenesulfonamido)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121041674
2,4-dimethyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885536
4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885439
N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7152654
4-chloro-N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41125930
2-(4-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7519858
N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-fluorobenzamide
CID 41125937
N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41125927
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
CID 40885171
4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4284456
3-chloro-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047892

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 40885113) is 3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is Cc1cc(C)c2s/c(=N\C(=O)c3cccc(Cl)c3)n(C)c2c1.
What is the InChIKey of 3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is NZKBZHNOAQCJKN-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-10-7-11(2)15-14(8-10)20(3)17(22-15)19-16(21)12-5-4-6-13(18)9-12/h4-9H,1-3H3/b19-17-.
What are the key properties of 3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 330.84 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 40885113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).