N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine

C13H11BrN2OS2 — CID 53273444

IUPACN-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESBrc1ccc(-c2cnc(CNCc3cccs3)s2)o1
InChIInChI=1S/C13H11BrN2OS2/c14-12-4-3-10(17-12)11-7-16-13(19-11)8-15-6-9-2-1-5-18-9/h1-5,7,15H,6,8H2
InChIKeyHTJWSUKATYTAEO-UHFFFAOYSA-N
MW355.28 g/mol
LogP4.52
Rot. Bonds5

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

N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine (PubChem CID 53273444) has the molecular formula C13H11BrN2OS2 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
PubChem CID53273444
Molecular FormulaC13H11BrN2OS2
Molecular Weight355.28 g/mol
Exact Mass353.95
IUPAC NameN-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESBrc1ccc(-c2cnc(CNCc3cccs3)s2)o1
InChIInChI=1S/C13H11BrN2OS2/c14-12-4-3-10(17-12)11-7-16-13(19-11)8-15-6-9-2-1-5-18-9/h1-5,7,15H,6,8H2
InChIKeyHTJWSUKATYTAEO-UHFFFAOYSA-N
XLogP4.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
CID 53273085
N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-cyclohexylmethanamine
CID 53273361
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 115655838
N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-(4-chlorophenyl)ethanamine
CID 53273420
N-[[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
CID 53272360
N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
CID 53272191
1-(3,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53272624
1-(2,4-dichlorophenyl)-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53272623
N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 165445282
5-bromo-2-[(thiophen-2-ylmethylamino)methyl]pyridin-3-ol
CID 167933826
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 79981814
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
CID 103701941

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine (CID 53273444) is N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine is Brc1ccc(-c2cnc(CNCc3cccs3)s2)o1.
What is the InChIKey of N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is HTJWSUKATYTAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2OS2/c14-12-4-3-10(17-12)11-7-16-13(19-11)8-15-6-9-2-1-5-18-9/h1-5,7,15H,6,8H2.
What are the key properties of N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine?
N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 355.28 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 53273444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).