N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide

C17H15BrN2OS2 — CID 42525114

IUPACN-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)/N=c2\sc3cccc(Br)c3n2C)cc1
InChIInChI=1S/C17H15BrN2OS2/c1-20-16-13(18)4-3-5-14(16)23-17(20)19-15(21)10-11-6-8-12(22-2)9-7-11/h3-9H,10H2,1-2H3/b19-17-
InChIKeyQCODZCQVDOXGRX-ZPHPHTNESA-N
MW407.36 g/mol
LogP4.39
Rot. Bonds3

About N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide

N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide (PubChem CID 42525114) has the molecular formula C17H15BrN2OS2 and a molecular weight of 407.36 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide
PubChem CID42525114
Molecular FormulaC17H15BrN2OS2
Molecular Weight407.36 g/mol
Exact Mass405.98
IUPAC NameN-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)/N=c2\sc3cccc(Br)c3n2C)cc1
InChIInChI=1S/C17H15BrN2OS2/c1-20-16-13(18)4-3-5-14(16)23-17(20)19-15(21)10-11-6-8-12(22-2)9-7-11/h3-9H,10H2,1-2H3/b19-17-
InChIKeyQCODZCQVDOXGRX-ZPHPHTNESA-N
XLogP4.39
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide
CID 42525037
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-ethylsulfonylphenyl)acetamide
CID 41126959
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
CID 16912526
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)acetamide
CID 40700280
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfanylphenyl)acetamide
CID 42525068
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide
CID 42387958
2-(4-methylsulfanylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41126426
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-5-nitrofuran-2-carboxamide
CID 7154009
2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41107950
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-chlorophenyl)sulfonylbutanamide
CID 25407765
N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
CID 41340076
N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfanylphenyl)acetamide
CID 42525090

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide (CID 42525114) is N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide is CSc1ccc(CC(=O)/N=c2\sc3cccc(Br)c3n2C)cc1.
What is the InChIKey of N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide?
The InChIKey is QCODZCQVDOXGRX-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15BrN2OS2/c1-20-16-13(18)4-3-5-14(16)23-17(20)19-15(21)10-11-6-8-12(22-2)9-7-11/h3-9H,10H2,1-2H3/b19-17-.
What are the key properties of N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide?
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide has a molecular weight of 407.36 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 42525114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).