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

C13H16N2S — CID 46784215

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine
SMILESCc1cnc(CNCCc2ccccc2)s1
InChIInChI=1S/C13H16N2S/c1-11-9-15-13(16-11)10-14-8-7-12-5-3-2-4-6-12/h2-6,9,14H,7-8,10H2,1H3
InChIKeyANSQQEOSYQSZKS-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.78
Rot. Bonds5

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

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine (PubChem CID 46784215) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine
PubChem CID46784215
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine
SMILESCc1cnc(CNCCc2ccccc2)s1
InChIInChI=1S/C13H16N2S/c1-11-9-15-13(16-11)10-14-8-7-12-5-3-2-4-6-12/h2-6,9,14H,7-8,10H2,1H3
InChIKeyANSQQEOSYQSZKS-UHFFFAOYSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N'-phenylethane-1,2-diamine
CID 114128264
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine
CID 103729859
2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 115640601
N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine
CID 53272762
2-phenyl-N-[[5-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273059
N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine
CID 4715741
N-[[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine
CID 53271955
2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53271692
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110739412
3-[(5-methyl-1,3-thiazol-2-yl)methylamino]propan-1-ol;dihydrochloride
CID 56773662
(2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
CID 103814799
N,N-diethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43761852

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine (CID 46784215) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine is Cc1cnc(CNCCc2ccccc2)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine?
The InChIKey is ANSQQEOSYQSZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-11-9-15-13(16-11)10-14-8-7-12-5-3-2-4-6-12/h2-6,9,14H,7-8,10H2,1H3.
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine has a molecular weight of 232.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine is sourced from PubChem (CID 46784215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).