[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]methanamine

C8H7BrN2S2 — CID 61283113

IUPAC[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2ccc(Br)s2)s1
InChIInChI=1S/C8H7BrN2S2/c9-7-2-1-6(13-7)8-11-4-5(3-10)12-8/h1-2,4H,3,10H2
InChIKeyILVWJGBTCNFPKK-UHFFFAOYSA-N
MW275.20 g/mol
LogP3.09
Rot. Bonds2

About [2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]methanamine

[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 61283113) has the molecular formula C8H7BrN2S2 and a molecular weight of 275.20 g/mol. Its IUPAC name is [2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID61283113
Molecular FormulaC8H7BrN2S2
Molecular Weight275.20 g/mol
Exact Mass273.92
IUPAC Name[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2ccc(Br)s2)s1
InChIInChI=1S/C8H7BrN2S2/c9-7-2-1-6(13-7)8-11-4-5(3-10)12-8/h1-2,4H,3,10H2
InChIKeyILVWJGBTCNFPKK-UHFFFAOYSA-N
XLogP3.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]methanamine (CID 61283113) is [2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]methanamine is NCc1cnc(-c2ccc(Br)s2)s1.
What is the InChIKey of [2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is ILVWJGBTCNFPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S2/c9-7-2-1-6(13-7)8-11-4-5(3-10)12-8/h1-2,4H,3,10H2.
What are the key properties of [2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]methanamine?
[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 275.20 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 61283113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).