1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine

C15H20N2S — CID 113429643

IUPAC1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
SMILESCCC(NCC(C)c1nccs1)c1ccccc1
InChIInChI=1S/C15H20N2S/c1-3-14(13-7-5-4-6-8-13)17-11-12(2)15-16-9-10-18-15/h4-10,12,14,17H,3,11H2,1-2H3
InChIKeyJDXUXCJKTMVQKZ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.99
Rot. Bonds6

About 1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine

1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine (PubChem CID 113429643) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
PubChem CID113429643
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
SMILESCCC(NCC(C)c1nccs1)c1ccccc1
InChIInChI=1S/C15H20N2S/c1-3-14(13-7-5-4-6-8-13)17-11-12(2)15-16-9-10-18-15/h4-10,12,14,17H,3,11H2,1-2H3
InChIKeyJDXUXCJKTMVQKZ-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
CID 104584906
1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61285407
(2S)-2-phenyl-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 92582018
(2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine
CID 124570142
5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
CID 113429640
1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine
CID 104585087
N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
CID 104585067
2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole
CID 90941742
N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585128
N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 104577139
3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide
CID 104585100
N-[1-(3-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585029

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine?
The IUPAC name of 1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine (CID 113429643) is 1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine.
What is the SMILES notation for 1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine?
The canonical SMILES for 1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine is CCC(NCC(C)c1nccs1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine?
The InChIKey is JDXUXCJKTMVQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-14(13-7-5-4-6-8-13)17-11-12(2)15-16-9-10-18-15/h4-10,12,14,17H,3,11H2,1-2H3.
What are the key properties of 1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine?
1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine is sourced from PubChem (CID 113429643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).