1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine

C14H19N3S — CID 105096803

IUPAC1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
SMILESCCc1nnsc1C(NC)c1cc(C)cc(C)c1
InChIInChI=1S/C14H19N3S/c1-5-12-14(18-17-16-12)13(15-4)11-7-9(2)6-10(3)8-11/h6-8,13,15H,5H2,1-4H3
InChIKeyVLLKOAIDNFQVIG-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.03
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine

1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine (PubChem CID 105096803) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
PubChem CID105096803
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
SMILESCCc1nnsc1C(NC)c1cc(C)cc(C)c1
InChIInChI=1S/C14H19N3S/c1-5-12-14(18-17-16-12)13(15-4)11-7-9(2)6-10(3)8-11/h6-8,13,15H,5H2,1-4H3
InChIKeyVLLKOAIDNFQVIG-UHFFFAOYSA-N
XLogP3.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105168316
2-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105098842
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 105172229
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 105097449
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 105144640
1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105164481
1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 105144492
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105143327
[(3,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]hydrazine
CID 105301889
1-(2,3-dimethylimidazol-4-yl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 114283539
N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 105092612
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185488

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine (CID 105096803) is 1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine is CCc1nnsc1C(NC)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine?
The InChIKey is VLLKOAIDNFQVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-5-12-14(18-17-16-12)13(15-4)11-7-9(2)6-10(3)8-11/h6-8,13,15H,5H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine?
1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105096803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).