N-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine

C15H21N3S — CID 105094228

IUPACN-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine
SMILESCNC(CCc1ccccc1)c1snnc1C(C)C
InChIInChI=1S/C15H21N3S/c1-11(2)14-15(19-18-17-14)13(16-3)10-9-12-7-5-4-6-8-12/h4-8,11,13,16H,9-10H2,1-3H3
InChIKeyMTYFNIBJOALACN-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.55
Rot. Bonds6

About N-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine

N-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine (PubChem CID 105094228) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine
PubChem CID105094228
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine
SMILESCNC(CCc1ccccc1)c1snnc1C(C)C
InChIInChI=1S/C15H21N3S/c1-11(2)14-15(19-18-17-14)13(16-3)10-9-12-7-5-4-6-8-12/h4-8,11,13,16H,9-10H2,1-3H3
InChIKeyMTYFNIBJOALACN-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine
CID 105094073
[2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]hydrazine
CID 105289507
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 43480559
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144852
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105377327
N-methyl-1-(1-methylindazol-3-yl)-3-phenylpropan-1-amine
CID 103126196
N-methyl-3-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975742
N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105085999
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylheptan-1-amine
CID 105126200
1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794483
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine?
The IUPAC name of N-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine (CID 105094228) is N-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine is CNC(CCc1ccccc1)c1snnc1C(C)C.
What is the InChIKey of N-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine?
The InChIKey is MTYFNIBJOALACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11(2)14-15(19-18-17-14)13(16-3)10-9-12-7-5-4-6-8-12/h4-8,11,13,16H,9-10H2,1-3H3.
What are the key properties of N-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine?
N-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 105094228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).