N-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

C15H19FN2S — CID 107931873

IUPACN-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(-c2cc(C)ccc2F)n1
InChIInChI=1S/C15H19FN2S/c1-4-7-17-11(3)14-9-19-15(18-14)12-8-10(2)5-6-13(12)16/h5-6,8-9,11,17H,4,7H2,1-3H3
InChIKeyXKYOCYTXOXRCKI-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.32
Rot. Bonds5

About N-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

N-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 107931873) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID107931873
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC NameN-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(-c2cc(C)ccc2F)n1
InChIInChI=1S/C15H19FN2S/c1-4-7-17-11(3)14-9-19-15(18-14)12-8-10(2)5-6-13(12)16/h5-6,8-9,11,17H,4,7H2,1-3H3
InChIKeyXKYOCYTXOXRCKI-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64543276
N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544305
N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine
CID 63423907
N-ethyl-1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 64544285
N-[1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64545116
N-ethyl-1-[2-(2-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 107111648
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64544094
N-[1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 79980981
N-[1-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544292
N-[1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544498
N-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544898
N-(2-fluorophenyl)-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64545171

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 107931873) is N-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(-c2cc(C)ccc2F)n1.
What is the InChIKey of N-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is XKYOCYTXOXRCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-4-7-17-11(3)14-9-19-15(18-14)12-8-10(2)5-6-13(12)16/h5-6,8-9,11,17H,4,7H2,1-3H3.
What are the key properties of N-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 107931873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).