1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine

C13H16FN3S — CID 104953801

IUPAC1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine
SMILESCCc1cnc(C(C)NCc2cncc(F)c2)s1
InChIInChI=1S/C13H16FN3S/c1-3-12-8-17-13(18-12)9(2)16-6-10-4-11(14)7-15-5-10/h4-5,7-9,16H,3,6H2,1-2H3
InChIKeyCSNRWKYLDRKQMP-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.09
Rot. Bonds5

About 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine

1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine (PubChem CID 104953801) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine
PubChem CID104953801
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine
SMILESCCc1cnc(C(C)NCc2cncc(F)c2)s1
InChIInChI=1S/C13H16FN3S/c1-3-12-8-17-13(18-12)9(2)16-6-10-4-11(14)7-15-5-10/h4-5,7-9,16H,3,6H2,1-2H3
InChIKeyCSNRWKYLDRKQMP-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2,6-difluorophenol
CID 115680101
N-[(3,5-dimethylphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 112696879
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438032
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 115697598
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 112696852
1-(5-ethyl-1,3-thiazol-2-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 115679712
4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-3,5-difluorobenzonitrile
CID 107038858
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 115679748
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 115679734
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(3-nitrophenyl)methyl]ethanamine
CID 115679738
N-[(5-fluoro-3-pyridinyl)methyl]pentan-2-amine
CID 104953314
3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide
CID 75504863

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine (CID 104953801) is 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine is CCc1cnc(C(C)NCc2cncc(F)c2)s1.
What is the InChIKey of 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine?
The InChIKey is CSNRWKYLDRKQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-3-12-8-17-13(18-12)9(2)16-6-10-4-11(14)7-15-5-10/h4-5,7-9,16H,3,6H2,1-2H3.
What are the key properties of 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine?
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 104953801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).