N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine

C16H16N2OS — CID 53272762

IUPACN-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine
SMILESc1ccc(CCNCc2ncc(-c3ccco3)s2)cc1
InChIInChI=1S/C16H16N2OS/c1-2-5-13(6-3-1)8-9-17-12-16-18-11-15(20-16)14-7-4-10-19-14/h1-7,10-11,17H,8-9,12H2
InChIKeyVDKRLRMDWJNDCI-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.74
Rot. Bonds6

About N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine

N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine (PubChem CID 53272762) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine
PubChem CID53272762
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine
SMILESc1ccc(CCNCc2ncc(-c3ccco3)s2)cc1
InChIInChI=1S/C16H16N2OS/c1-2-5-13(6-3-1)8-9-17-12-16-18-11-15(20-16)14-7-4-10-19-14/h1-7,10-11,17H,8-9,12H2
InChIKeyVDKRLRMDWJNDCI-UHFFFAOYSA-N
XLogP3.74
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 53272207
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine
CID 46784215
2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53271692
N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-(4-chlorophenyl)ethanamine
CID 53273420
2-phenyl-N-[[5-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273059
N-[[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine
CID 53271955
N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine
CID 53272240
2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273035
2-(4-chlorophenyl)-N-[[5-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273510
2-(4-fluorophenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53272678
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272372
1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53273448

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine?
The IUPAC name of N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine (CID 53272762) is N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine?
The canonical SMILES for N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine is c1ccc(CCNCc2ncc(-c3ccco3)s2)cc1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine?
The InChIKey is VDKRLRMDWJNDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-2-5-13(6-3-1)8-9-17-12-16-18-11-15(20-16)14-7-4-10-19-14/h1-7,10-11,17H,8-9,12H2.
What are the key properties of N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine?
N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine is sourced from PubChem (CID 53272762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).