N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide

C16H13BrN2O2S — CID 5197134

IUPACN-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)/N=c2\sc3cc(Br)ccc3n2C)cc1
InChIInChI=1S/C16H13BrN2O2S/c1-19-13-8-5-11(17)9-14(13)22-16(19)18-15(20)10-3-6-12(21-2)7-4-10/h3-9H,1-2H3/b18-16-
InChIKeyYFVHIFHEYDHERA-VLGSPTGOSA-N
MW377.26 g/mol
LogP3.75
Rot. Bonds2

About N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide

N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide (PubChem CID 5197134) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
PubChem CID5197134
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC NameN-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)/N=c2\sc3cc(Br)ccc3n2C)cc1
InChIInChI=1S/C16H13BrN2O2S/c1-19-13-8-5-11(17)9-14(13)22-16(19)18-15(20)10-3-6-12(21-2)7-4-10/h3-9H,1-2H3/b18-16-
InChIKeyYFVHIFHEYDHERA-VLGSPTGOSA-N
XLogP3.75
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-ethoxybenzamide
CID 3279559
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045170
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 4564147
methyl 2-(4-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate
CID 2104961
methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 5183743
3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4670224
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-pentoxybenzamide
CID 5051566
N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
CID 4666362
4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984720
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide
CID 126204701
4-methoxy-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)benzamide
CID 16850634
4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983958

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide?
The IUPAC name of N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide (CID 5197134) is N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide.
What is the SMILES notation for N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide?
The canonical SMILES for N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide is COc1ccc(C(=O)/N=c2\sc3cc(Br)ccc3n2C)cc1.
What is the InChIKey of N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide?
The InChIKey is YFVHIFHEYDHERA-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c1-19-13-8-5-11(17)9-14(13)22-16(19)18-15(20)10-3-6-12(21-2)7-4-10/h3-9H,1-2H3/b18-16-.
What are the key properties of N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide?
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide has a molecular weight of 377.26 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide is sourced from PubChem (CID 5197134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).