1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine

C11H13BrN2S2 — CID 115091295

IUPAC1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1cnc(-c2ccc(Br)s2)s1
InChIInChI=1S/C11H13BrN2S2/c1-7(13-2)5-8-6-14-11(15-8)9-3-4-10(12)16-9/h3-4,6-7,13H,5H2,1-2H3
InChIKeyUVWNSOQJAXFINX-UHFFFAOYSA-N
MW317.28 g/mol
LogP3.78
Rot. Bonds4

About 1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine

1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine (PubChem CID 115091295) has the molecular formula C11H13BrN2S2 and a molecular weight of 317.28 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
PubChem CID115091295
Molecular FormulaC11H13BrN2S2
Molecular Weight317.28 g/mol
Exact Mass315.97
IUPAC Name1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1cnc(-c2ccc(Br)s2)s1
InChIInChI=1S/C11H13BrN2S2/c1-7(13-2)5-8-6-14-11(15-8)9-3-4-10(12)16-9/h3-4,6-7,13H,5H2,1-2H3
InChIKeyUVWNSOQJAXFINX-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
CID 115091875
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
1-[2-(5-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091227
1-[5-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867640
1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115086566
1-[2-(4-bromophenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 115091945
1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62318685
1-[5-[1-(5-bromothiophen-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865332
1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine
CID 116897913
N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115089837
1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115087389
N-methyl-1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 115090839

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine (CID 115091295) is 1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine is CNC(C)Cc1cnc(-c2ccc(Br)s2)s1.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine?
The InChIKey is UVWNSOQJAXFINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S2/c1-7(13-2)5-8-6-14-11(15-8)9-3-4-10(12)16-9/h3-4,6-7,13H,5H2,1-2H3.
What are the key properties of 1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine?
1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine has a molecular weight of 317.28 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 115091295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).