N-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine

C15H20N2S — CID 78923898

IUPACN-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cscn1)c1cc(C)ccc1C
InChIInChI=1S/C15H20N2S/c1-4-7-16-15(14-9-18-10-17-14)13-8-11(2)5-6-12(13)3/h5-6,8-10,15-16H,4,7H2,1-3H3
InChIKeyXUHHIWBEYKATNQ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.85
Rot. Bonds5

About N-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine

N-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine (PubChem CID 78923898) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
PubChem CID78923898
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cscn1)c1cc(C)ccc1C
InChIInChI=1S/C15H20N2S/c1-4-7-16-15(14-9-18-10-17-14)13-8-11(2)5-6-12(13)3/h5-6,8-10,15-16H,4,7H2,1-3H3
InChIKeyXUHHIWBEYKATNQ-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 107129043
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713772
N-[(5-methylfuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 114990272
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 81229898
N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 114987412
N-[(2,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496101
N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 60888079
N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496085
N-[(2,4-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79801999
N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496090
N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 106684288
N-[(2,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413548

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine (CID 78923898) is N-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine is CCCNC(c1cscn1)c1cc(C)ccc1C.
What is the InChIKey of N-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
The InChIKey is XUHHIWBEYKATNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-7-16-15(14-9-18-10-17-14)13-8-11(2)5-6-12(13)3/h5-6,8-10,15-16H,4,7H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
N-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 78923898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).