5-(5-bromothiophen-2-yl)sulfanyl-1,3-thiazol-2-amine

C7H5BrN2S3 — CID 54265319

IUPAC5-(5-bromothiophen-2-yl)sulfanyl-1,3-thiazol-2-amine
SMILESNc1ncc(Sc2ccc(Br)s2)s1
InChIInChI=1S/C7H5BrN2S3/c8-4-1-2-5(11-4)12-6-3-10-7(9)13-6/h1-3H,(H2,9,10)
InChIKeyRGIPDZNXXPNZDL-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.70
Rot. Bonds2

About 5-(5-bromothiophen-2-yl)sulfanyl-1,3-thiazol-2-amine

5-(5-bromothiophen-2-yl)sulfanyl-1,3-thiazol-2-amine (PubChem CID 54265319) has the molecular formula C7H5BrN2S3 and a molecular weight of 293.24 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)sulfanyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)sulfanyl-1,3-thiazol-2-amine
PubChem CID54265319
Molecular FormulaC7H5BrN2S3
Molecular Weight293.24 g/mol
Exact Mass291.88
IUPAC Name5-(5-bromothiophen-2-yl)sulfanyl-1,3-thiazol-2-amine
SMILESNc1ncc(Sc2ccc(Br)s2)s1
InChIInChI=1S/C7H5BrN2S3/c8-4-1-2-5(11-4)12-6-3-10-7(9)13-6/h1-3H,(H2,9,10)
InChIKeyRGIPDZNXXPNZDL-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)sulfanyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(5-bromothiophen-2-yl)sulfanyl-1,3-thiazol-2-amine (CID 54265319) is 5-(5-bromothiophen-2-yl)sulfanyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)sulfanyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(5-bromothiophen-2-yl)sulfanyl-1,3-thiazol-2-amine is Nc1ncc(Sc2ccc(Br)s2)s1.
What is the InChIKey of 5-(5-bromothiophen-2-yl)sulfanyl-1,3-thiazol-2-amine?
The InChIKey is RGIPDZNXXPNZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2S3/c8-4-1-2-5(11-4)12-6-3-10-7(9)13-6/h1-3H,(H2,9,10).
What are the key properties of 5-(5-bromothiophen-2-yl)sulfanyl-1,3-thiazol-2-amine?
5-(5-bromothiophen-2-yl)sulfanyl-1,3-thiazol-2-amine has a molecular weight of 293.24 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)sulfanyl-1,3-thiazol-2-amine is sourced from PubChem (CID 54265319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).