3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

C16H12Cl2N2O2S — CID 5175515

IUPAC3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCOc1cccc2s/c(=N\C(=O)c3cc(Cl)cc(Cl)c3)n(C)c12
InChIInChI=1S/C16H12Cl2N2O2S/c1-20-14-12(22-2)4-3-5-13(14)23-16(20)19-15(21)9-6-10(17)8-11(18)7-9/h3-8H,1-2H3/b19-16-
InChIKeySTIQLSKGKHROKH-MNDPQUGUSA-N
MW367.26 g/mol
LogP4.30
Rot. Bonds2

About 3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 5175515) has the molecular formula C16H12Cl2N2O2S and a molecular weight of 367.26 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID5175515
Molecular FormulaC16H12Cl2N2O2S
Molecular Weight367.26 g/mol
Exact Mass366.00
IUPAC Name3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCOc1cccc2s/c(=N\C(=O)c3cc(Cl)cc(Cl)c3)n(C)c12
InChIInChI=1S/C16H12Cl2N2O2S/c1-20-14-12(22-2)4-3-5-13(14)23-16(20)19-15(21)9-6-10(17)8-11(18)7-9/h3-8H,1-2H3/b19-16-
InChIKeySTIQLSKGKHROKH-MNDPQUGUSA-N
XLogP4.30
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4051036
4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4067124
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 3316524
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
CID 5225520
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
CID 41149518
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
CID 2151078
3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4641541
3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5222427
3,5-dichloro-N-[4-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41202522
3,4,5-trimethoxy-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7541324
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
CID 40885128
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 3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (CID 5175515) is 3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is COc1cccc2s/c(=N\C(=O)c3cc(Cl)cc(Cl)c3)n(C)c12.
What is the InChIKey of 3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is STIQLSKGKHROKH-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2S/c1-20-14-12(22-2)4-3-5-13(14)23-16(20)19-15(21)9-6-10(17)8-11(18)7-9/h3-8H,1-2H3/b19-16-.
What are the key properties of 3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 367.26 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 5175515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).