1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine

C16H23N3OS — CID 105179103

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCNC(c1cc(C)c(OC)cc1C)c1snnc1C(C)C
InChIInChI=1S/C16H23N3OS/c1-9(2)14-16(21-19-18-14)15(17-5)12-7-11(4)13(20-6)8-10(12)3/h7-9,15,17H,1-6H3
InChIKeyVMOQHNXTKXHIHF-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.60
Rot. Bonds5

About 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine

1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine (PubChem CID 105179103) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
PubChem CID105179103
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCNC(c1cc(C)c(OC)cc1C)c1snnc1C(C)C
InChIInChI=1S/C16H23N3OS/c1-9(2)14-16(21-19-18-14)15(17-5)12-7-11(4)13(20-6)8-10(12)3/h7-9,15,17H,1-6H3
InChIKeyVMOQHNXTKXHIHF-UHFFFAOYSA-N
XLogP3.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105179011
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923788
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105186690
[(2,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105305151
N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144852
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105178281
1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 105032769
(4-methoxy-2-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105082992
(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105168313
(5-fluoro-2-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105176488
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105032973
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 105032785

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine (CID 105179103) is 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine is CNC(c1cc(C)c(OC)cc1C)c1snnc1C(C)C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The InChIKey is VMOQHNXTKXHIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-9(2)14-16(21-19-18-14)15(17-5)12-7-11(4)13(20-6)8-10(12)3/h7-9,15,17H,1-6H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine has a molecular weight of 305.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105179103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).