2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine

C11H13BrN2S2 — CID 116884511

IUPAC2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1nc(-c2ccc(Br)s2)sc1C(C)(C)N
InChIInChI=1S/C11H13BrN2S2/c1-6-9(11(2,3)13)16-10(14-6)7-4-5-8(12)15-7/h4-5H,13H2,1-3H3
InChIKeyAXWXZLPYRPUEHG-UHFFFAOYSA-N
MW317.28 g/mol
LogP4.14
Rot. Bonds2

About 2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine

2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 116884511) has the molecular formula C11H13BrN2S2 and a molecular weight of 317.28 g/mol. Its IUPAC name is 2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine
PubChem CID116884511
Molecular FormulaC11H13BrN2S2
Molecular Weight317.28 g/mol
Exact Mass315.97
IUPAC Name2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1nc(-c2ccc(Br)s2)sc1C(C)(C)N
InChIInChI=1S/C11H13BrN2S2/c1-6-9(11(2,3)13)16-10(14-6)7-4-5-8(12)15-7/h4-5H,13H2,1-3H3
InChIKeyAXWXZLPYRPUEHG-UHFFFAOYSA-N
XLogP4.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine (CID 116884511) is 2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine is Cc1nc(-c2ccc(Br)s2)sc1C(C)(C)N.
What is the InChIKey of 2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is AXWXZLPYRPUEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S2/c1-6-9(11(2,3)13)16-10(14-6)7-4-5-8(12)15-7/h4-5H,13H2,1-3H3.
What are the key properties of 2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine?
2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 317.28 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 116884511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).