N-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine

C16H10BrN3S — CID 171618380

IUPACN-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine
SMILESBrc1ccc2nccc(Nc3ccc4scnc4c3)c2c1
InChIInChI=1S/C16H10BrN3S/c17-10-1-3-13-12(7-10)14(5-6-18-13)20-11-2-4-16-15(8-11)19-9-21-16/h1-9H,(H,18,20)
InChIKeyHKEOVRSOFLWJAF-UHFFFAOYSA-N
MW356.25 g/mol
LogP5.35
Rot. Bonds2

About N-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine

N-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine (PubChem CID 171618380) has the molecular formula C16H10BrN3S and a molecular weight of 356.25 g/mol. Its IUPAC name is N-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine
PubChem CID171618380
Molecular FormulaC16H10BrN3S
Molecular Weight356.25 g/mol
Exact Mass354.98
IUPAC NameN-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine
SMILESBrc1ccc2nccc(Nc3ccc4scnc4c3)c2c1
InChIInChI=1S/C16H10BrN3S/c17-10-1-3-13-12(7-10)14(5-6-18-13)20-11-2-4-16-15(8-11)19-9-21-16/h1-9H,(H,18,20)
InChIKeyHKEOVRSOFLWJAF-UHFFFAOYSA-N
XLogP5.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.25
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine
CID 156805035
N-(1,3-benzothiazol-5-yl)-2,3-dimethylthieno[2,3-g]quinolin-8-amine
CID 156804970
N-[6-(2,2,2-trifluoroethylsulfinyl)quinolin-4-yl]-1,3-benzothiazol-5-amine
CID 123896802
N-[6-(oxan-4-ylsulfinyl)quinolin-4-yl]-1,3-benzothiazol-5-amine
CID 123272248
2-amino-2-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonylacetamide
CID 71269681
N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine
CID 165123357
N-(6-methylsulfanyl-7-propan-2-yloxyquinolin-4-yl)-1,3-benzothiazol-5-amine
CID 169214269
N-(1,3-benzothiazol-5-yl)-1,1-dioxo-2-propan-2-ylthieno[2,3-g]quinolin-8-amine
CID 156575906
N-[7-(difluoromethoxy)-6-dimethylphosphanylquinolin-4-yl]-1,3-benzothiazol-5-amine
CID 165123386
(2R)-1-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonyl-2-methylpyrrolidin-1-ium-1-carboxylic acid
CID 118339845
1-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]sulfonyl-6-methylpiperidine-3-carboxylic acid
CID 71269582
[5-[4-(1,3-benzothiazol-5-ylamino)quinolin-6-yl]-2-pyridinyl]-(2,6-diazaspiro[3.3]heptan-2-yl)methanone
CID 177083569

Frequently Asked Questions

What is the IUPAC name of N-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine?
The IUPAC name of N-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine (CID 171618380) is N-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine?
The canonical SMILES for N-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine is Brc1ccc2nccc(Nc3ccc4scnc4c3)c2c1.
What is the InChIKey of N-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine?
The InChIKey is HKEOVRSOFLWJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3S/c17-10-1-3-13-12(7-10)14(5-6-18-13)20-11-2-4-16-15(8-11)19-9-21-16/h1-9H,(H,18,20).
What are the key properties of N-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine?
N-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine has a molecular weight of 356.25 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromoquinolin-4-yl)-1,3-benzothiazol-5-amine is sourced from PubChem (CID 171618380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).