4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

C17H14Br2N2OS — CID 43984720

IUPAC4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(Br)cc2)sc2cc(Br)ccc21
InChIInChI=1S/C17H14Br2N2OS/c1-2-9-21-14-8-7-13(19)10-15(14)23-17(21)20-16(22)11-3-5-12(18)6-4-11/h3-8,10H,2,9H2,1H3/b20-17-
InChIKeyILRJBGXAESSROE-JZJYNLBNSA-N
MW454.19 g/mol
LogP5.38
Rot. Bonds3

About 4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43984720) has the molecular formula C17H14Br2N2OS and a molecular weight of 454.19 g/mol. Its IUPAC name is 4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID43984720
Molecular FormulaC17H14Br2N2OS
Molecular Weight454.19 g/mol
Exact Mass451.92
IUPAC Name4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(Br)cc2)sc2cc(Br)ccc21
InChIInChI=1S/C17H14Br2N2OS/c1-2-9-21-14-8-7-13(19)10-15(14)23-17(21)20-16(22)11-3-5-12(18)6-4-11/h3-8,10H,2,9H2,1H3/b20-17-
InChIKeyILRJBGXAESSROE-JZJYNLBNSA-N
XLogP5.38
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.19
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-4-(dimethylsulfamoyl)benzamide
CID 43984735
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide
CID 43984817
4-acetyl-N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2104756
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonylbenzamide
CID 43984732
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 8612685
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide
CID 43984733
4-fluoro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983952
4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983945
4-bromo-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 2104887
4-acetyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984091
4-benzyl-N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5079509
4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983958

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43984720) is 4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCn1/c(=N/C(=O)c2ccc(Br)cc2)sc2cc(Br)ccc21.
What is the InChIKey of 4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is ILRJBGXAESSROE-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H14Br2N2OS/c1-2-9-21-14-8-7-13(19)10-15(14)23-17(21)20-16(22)11-3-5-12(18)6-4-11/h3-8,10H,2,9H2,1H3/b20-17-.
What are the key properties of 4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 454.19 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43984720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).