1-[2-(5-bromofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine

C12H15BrN2OS — CID 61282286

IUPAC1-[2-(5-bromofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1sc(-c2ccc(Br)o2)nc1C
InChIInChI=1S/C12H15BrN2OS/c1-4-14-7(2)11-8(3)15-12(17-11)9-5-6-10(13)16-9/h5-7,14H,4H2,1-3H3
InChIKeyPBHPKKNYTQHCLS-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.14
Rot. Bonds4

About 1-[2-(5-bromofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine

1-[2-(5-bromofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine (PubChem CID 61282286) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-[2-(5-bromofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(5-bromofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
PubChem CID61282286
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name1-[2-(5-bromofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1sc(-c2ccc(Br)o2)nc1C
InChIInChI=1S/C12H15BrN2OS/c1-4-14-7(2)11-8(3)15-12(17-11)9-5-6-10(13)16-9/h5-7,14H,4H2,1-3H3
InChIKeyPBHPKKNYTQHCLS-UHFFFAOYSA-N
XLogP4.14
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(5-bromofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine (CID 61282286) is 1-[2-(5-bromofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(5-bromofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(5-bromofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine is CCNC(C)c1sc(-c2ccc(Br)o2)nc1C.
What is the InChIKey of 1-[2-(5-bromofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
The InChIKey is PBHPKKNYTQHCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-4-14-7(2)11-8(3)15-12(17-11)9-5-6-10(13)16-9/h5-7,14H,4H2,1-3H3.
What are the key properties of 1-[2-(5-bromofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
1-[2-(5-bromofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine has a molecular weight of 315.24 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 61282286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).