2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine

C11H7BrN2S2 — CID 116864381

IUPAC2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine
SMILESNc1nc(-c2csc3ccccc23)sc1Br
InChIInChI=1S/C11H7BrN2S2/c12-9-10(13)14-11(16-9)7-5-15-8-4-2-1-3-6(7)8/h1-5H,13H2
InChIKeyHDDHBAJVHSIBEU-UHFFFAOYSA-N
MW311.23 g/mol
LogP4.37
Rot. Bonds1

About 2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine

2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine (PubChem CID 116864381) has the molecular formula C11H7BrN2S2 and a molecular weight of 311.23 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine
PubChem CID116864381
Molecular FormulaC11H7BrN2S2
Molecular Weight311.23 g/mol
Exact Mass309.92
IUPAC Name2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine
SMILESNc1nc(-c2csc3ccccc23)sc1Br
InChIInChI=1S/C11H7BrN2S2/c12-9-10(13)14-11(16-9)7-5-15-8-4-2-1-3-6(7)8/h1-5H,13H2
InChIKeyHDDHBAJVHSIBEU-UHFFFAOYSA-N
XLogP4.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine
CID 66303207
1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 64542695
3-(2-bromophenyl)-1-benzothiophene
CID 134529579
1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62699422
6-(1-benzothiophen-3-yl)-3-methyl-1,2,4-triazin-5-amine
CID 116823524
4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine
CID 68946010
4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine
CID 116832461
2-(1-benzothiophen-3-yl)-7H-purin-6-amine
CID 117079160
5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine
CID 116864382
4-(1-benzothiophen-3-yl)-5-ethyl-1,3-oxazol-2-amine
CID 116831962
4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine
CID 116897334
5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine
CID 116864287

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine (CID 116864381) is 2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine is Nc1nc(-c2csc3ccccc23)sc1Br.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine?
The InChIKey is HDDHBAJVHSIBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2S2/c12-9-10(13)14-11(16-9)7-5-15-8-4-2-1-3-6(7)8/h1-5H,13H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine?
2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine has a molecular weight of 311.23 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine is sourced from PubChem (CID 116864381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).