N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide

C15H12BrN3O2S2 — CID 2159240

IUPACN-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide
SMILESCC(=O)Nc1ccc2c(c1)s/c(=N\C(=O)c1ccc(Br)s1)n2C
InChIInChI=1S/C15H12BrN3O2S2/c1-8(20)17-9-3-4-10-12(7-9)23-15(19(10)2)18-14(21)11-5-6-13(16)22-11/h3-7H,1-2H3,(H,17,20)/b18-15-
InChIKeyUDGPIDJXYJFOFD-SDXDJHTJSA-N
MW410.32 g/mol
LogP3.76
Rot. Bonds2

About N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide

N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide (PubChem CID 2159240) has the molecular formula C15H12BrN3O2S2 and a molecular weight of 410.32 g/mol. Its IUPAC name is N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide
PubChem CID2159240
Molecular FormulaC15H12BrN3O2S2
Molecular Weight410.32 g/mol
Exact Mass408.96
IUPAC NameN-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide
SMILESCC(=O)Nc1ccc2c(c1)s/c(=N\C(=O)c1ccc(Br)s1)n2C
InChIInChI=1S/C15H12BrN3O2S2/c1-8(20)17-9-3-4-10-12(7-9)23-15(19(10)2)18-14(21)11-5-6-13(16)22-11/h3-7H,1-2H3,(H,17,20)/b18-15-
InChIKeyUDGPIDJXYJFOFD-SDXDJHTJSA-N
XLogP3.76
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide?
The IUPAC name of N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide (CID 2159240) is N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide?
The canonical SMILES for N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide is CC(=O)Nc1ccc2c(c1)s/c(=N\C(=O)c1ccc(Br)s1)n2C.
What is the InChIKey of N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide?
The InChIKey is UDGPIDJXYJFOFD-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H12BrN3O2S2/c1-8(20)17-9-3-4-10-12(7-9)23-15(19(10)2)18-14(21)11-5-6-13(16)22-11/h3-7H,1-2H3,(H,17,20)/b18-15-.
What are the key properties of N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide?
N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide has a molecular weight of 410.32 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide is sourced from PubChem (CID 2159240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).