1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine

C16H15BrN2OS — CID 105006690

IUPAC1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(-c2ccccc2)cs1)c1ccc(Br)o1
InChIInChI=1S/C16H15BrN2OS/c1-18-12(14-7-8-15(17)20-14)9-16-19-13(10-21-16)11-5-3-2-4-6-11/h2-8,10,12,18H,9H2,1H3
InChIKeyRCXUPDRFKPCIQR-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.67
Rot. Bonds5

About 1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine

1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 105006690) has the molecular formula C16H15BrN2OS and a molecular weight of 363.28 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
PubChem CID105006690
Molecular FormulaC16H15BrN2OS
Molecular Weight363.28 g/mol
Exact Mass362.01
IUPAC Name1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(-c2ccccc2)cs1)c1ccc(Br)o1
InChIInChI=1S/C16H15BrN2OS/c1-18-12(14-7-8-15(17)20-14)9-16-19-13(10-21-16)11-5-3-2-4-6-11/h2-8,10,12,18H,9H2,1H3
InChIKeyRCXUPDRFKPCIQR-UHFFFAOYSA-N
XLogP4.67
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79819695
N-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006723
1,1-difluoro-N-methyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516844
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine
CID 79825369
1-N,1-N,2-N-trimethyl-3-(4-phenyl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 79818156
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 115781573
1-N,1-N,3-N-trimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 115346382
4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820048
N-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 79825761

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine (CID 105006690) is 1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine is CNC(Cc1nc(-c2ccccc2)cs1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is RCXUPDRFKPCIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2OS/c1-18-12(14-7-8-15(17)20-14)9-16-19-13(10-21-16)11-5-3-2-4-6-11/h2-8,10,12,18H,9H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 363.28 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105006690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).