1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine

C15H21N3S — CID 105145197

IUPAC1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(NC)c1ccc(C)cc1C
InChIInChI=1S/C15H21N3S/c1-5-6-13-15(19-18-17-13)14(16-4)12-8-7-10(2)9-11(12)3/h7-9,14,16H,5-6H2,1-4H3
InChIKeyRRXGOHPZFQQWIU-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.42
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine

1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine (PubChem CID 105145197) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
PubChem CID105145197
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(NC)c1ccc(C)cc1C
InChIInChI=1S/C15H21N3S/c1-5-6-13-15(19-18-17-13)14(16-4)12-8-7-10(2)9-11(12)3/h7-9,14,16H,5-6H2,1-4H3
InChIKeyRRXGOHPZFQQWIU-UHFFFAOYSA-N
XLogP3.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine 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

1-(2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105120034
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105115184
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105179011
1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105143808
N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105141285
N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine
CID 105161965
[(3-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 105284851
[(2,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine
CID 105304599
1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105096803
1-(2,4-dimethylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990383
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine
CID 105171286
[(2-methoxy-4,6-dimethylphenyl)-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 106682929

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine (CID 105145197) is 1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine is CCCc1nnsc1C(NC)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
The InChIKey is RRXGOHPZFQQWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-5-6-13-15(19-18-17-13)14(16-4)12-8-7-10(2)9-11(12)3/h7-9,14,16H,5-6H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine has a molecular weight of 275.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105145197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).