N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine

C14H16N2S — CID 76940192

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine
SMILESCc1csc(CNCC=Cc2ccccc2)n1
InChIInChI=1S/C14H16N2S/c1-12-11-17-14(16-12)10-15-9-5-8-13-6-3-2-4-7-13/h2-8,11,15H,9-10H2,1H3
InChIKeyLKUNXBCPNDVFRX-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.25
Rot. Bonds5

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine (PubChem CID 76940192) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine
PubChem CID76940192
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine
SMILESCc1csc(CNCC=Cc2ccccc2)n1
InChIInChI=1S/C14H16N2S/c1-12-11-17-14(16-12)10-15-9-5-8-13-6-3-2-4-7-13/h2-8,11,15H,9-10H2,1H3
InChIKeyLKUNXBCPNDVFRX-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine (CID 76940192) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine is Cc1csc(CNCC=Cc2ccccc2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine?
The InChIKey is LKUNXBCPNDVFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-12-11-17-14(16-12)10-15-9-5-8-13-6-3-2-4-7-13/h2-8,11,15H,9-10H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine has a molecular weight of 244.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 76940192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).