N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine

C16H23N3S — CID 105144852

IUPACN-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)c1snnc1C(C)C
InChIInChI=1S/C16H23N3S/c1-10(2)12-6-8-13(9-7-12)15(17-5)16-14(11(3)4)18-19-20-16/h6-11,15,17H,1-5H3
InChIKeyISVZAIPFSGUXEY-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.09
Rot. Bonds5

About N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine

N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine (PubChem CID 105144852) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
PubChem CID105144852
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)c1snnc1C(C)C
InChIInChI=1S/C16H23N3S/c1-10(2)12-6-8-13(9-7-12)15(17-5)16-14(11(3)4)18-19-20-16/h6-11,15,17H,1-5H3
InChIKeyISVZAIPFSGUXEY-UHFFFAOYSA-N
XLogP4.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4-tert-butylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105300446
1-(3-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105173067
N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105076429
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105187003
N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105082276
1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
CID 105076322
[(4-propan-2-ylthiadiazol-5-yl)-(4-propylphenyl)methyl]hydrazine
CID 105303905
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 102653432
2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105136962
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105179103
N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 105144821
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105178281

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine (CID 105144852) is N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine is CNC(c1ccc(C(C)C)cc1)c1snnc1C(C)C.
What is the InChIKey of N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The InChIKey is ISVZAIPFSGUXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-10(2)12-6-8-13(9-7-12)15(17-5)16-14(11(3)4)18-19-20-16/h6-11,15,17H,1-5H3.
What are the key properties of N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine has a molecular weight of 289.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105144852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).