1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine

C13H17N3OS — CID 106682307

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
SMILESCNC(c1cnns1)c1c(C)cc(C)cc1OC
InChIInChI=1S/C13H17N3OS/c1-8-5-9(2)12(10(6-8)17-4)13(14-3)11-7-15-16-18-11/h5-7,13-14H,1-4H3
InChIKeyMBNQHKSRZIGIOD-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.47
Rot. Bonds4

About 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine

1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine (PubChem CID 106682307) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
PubChem CID106682307
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
SMILESCNC(c1cnns1)c1c(C)cc(C)cc1OC
InChIInChI=1S/C13H17N3OS/c1-8-5-9(2)12(10(6-8)17-4)13(14-3)11-7-15-16-18-11/h5-7,13-14H,1-4H3
InChIKeyMBNQHKSRZIGIOD-UHFFFAOYSA-N
XLogP2.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 106680989
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
1-(2,5-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105120600
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105170095
1-(3,5-dibromophenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 107977995
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 106680494
N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 106883667
1-(2-methoxy-4,6-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 106680353
1-(2-fluoro-4-methylphenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106682218
2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile
CID 116955039
(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine
CID 106883927
N-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine
CID 130848665

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine (CID 106682307) is 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine is CNC(c1cnns1)c1c(C)cc(C)cc1OC.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
The InChIKey is MBNQHKSRZIGIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-5-9(2)12(10(6-8)17-4)13(14-3)11-7-15-16-18-11/h5-7,13-14H,1-4H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine has a molecular weight of 263.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine is sourced from PubChem (CID 106682307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).