(E)-N,2-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-phenylprop-2-en-1-amine

C15H19N3S — CID 50953822

IUPAC(E)-N,2-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-phenylprop-2-en-1-amine
SMILESC/C(=C\c1ccccc1)CN(C)Cc1snnc1C
InChIInChI=1S/C15H19N3S/c1-12(9-14-7-5-4-6-8-14)10-18(3)11-15-13(2)16-17-19-15/h4-9H,10-11H2,1-3H3/b12-9+
InChIKeyCKWXBJZFEUAQFP-FMIVXFBMSA-N
MW273.40 g/mol
LogP3.38
Rot. Bonds5

About (E)-N,2-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-phenylprop-2-en-1-amine

(E)-N,2-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-phenylprop-2-en-1-amine (PubChem CID 50953822) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is (E)-N,2-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,2-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-phenylprop-2-en-1-amine
PubChem CID50953822
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name(E)-N,2-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-phenylprop-2-en-1-amine
SMILESC/C(=C\c1ccccc1)CN(C)Cc1snnc1C
InChIInChI=1S/C15H19N3S/c1-12(9-14-7-5-4-6-8-14)10-18(3)11-15-13(2)16-17-19-15/h4-9H,10-11H2,1-3H3/b12-9+
InChIKeyCKWXBJZFEUAQFP-FMIVXFBMSA-N
XLogP3.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (E)-N,2-dimethyl-N-[(4-methylthiadiazol-5-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

Related Compounds

N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]acetamide
CID 58773020
4-[3-[benzyl(methyl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide
CID 73033238
(E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine
CID 75482901
2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 50960843
N'-methyl-N-(2-methylphenyl)-N'-[(4-methylthiadiazol-5-yl)methyl]propanediamide
CID 50956987
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
2-[ethyl-(2-methyl-3-phenylprop-2-enyl)amino]ethanol
CID 127265155
1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
CID 42697732
ethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate
CID 23652081
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
3-methyl-4-phenylbut-3-enamide
CID 23660
trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane
CID 102166137

Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N,2-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-phenylprop-2-en-1-amine (CID 50953822) is (E)-N,2-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N,2-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N,2-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-phenylprop-2-en-1-amine is C/C(=C\c1ccccc1)CN(C)Cc1snnc1C.
What is the InChIKey of (E)-N,2-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-phenylprop-2-en-1-amine?
The InChIKey is CKWXBJZFEUAQFP-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H19N3S/c1-12(9-14-7-5-4-6-8-14)10-18(3)11-15-13(2)16-17-19-15/h4-9H,10-11H2,1-3H3/b12-9+.
What are the key properties of (E)-N,2-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-phenylprop-2-en-1-amine?
(E)-N,2-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-phenylprop-2-en-1-amine has a molecular weight of 273.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 50953822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).