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

C13H16FN3S — CID 103788099

IUPAC1-(5-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCc1cnc(C(C)NC(C)c2cncc(F)c2)s1
InChIInChI=1S/C13H16FN3S/c1-8-5-16-13(18-8)10(3)17-9(2)11-4-12(14)7-15-6-11/h4-7,9-10,17H,1-3H3
InChIKeyROCBEQFTOHNZDB-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.40
Rot. Bonds4

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

1-(5-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine (PubChem CID 103788099) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
PubChem CID103788099
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name1-(5-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCc1cnc(C(C)NC(C)c2cncc(F)c2)s1
InChIInChI=1S/C13H16FN3S/c1-8-5-16-13(18-8)10(3)17-9(2)11-4-12(14)7-15-6-11/h4-7,9-10,17H,1-3H3
InChIKeyROCBEQFTOHNZDB-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
CID 103779508
1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 115726969
N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 170759450
1-(2,3-difluorophenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 103924850
(1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
CID 103578530
3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
CID 115898575
4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 115726994
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 115726990
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine
CID 115726922
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 112700535
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 103779314
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115726933

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine (CID 103788099) is 1-(5-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine is Cc1cnc(C(C)NC(C)c2cncc(F)c2)s1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The InChIKey is ROCBEQFTOHNZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-8-5-16-13(18-8)10(3)17-9(2)11-4-12(14)7-15-6-11/h4-7,9-10,17H,1-3H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
1-(5-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 103788099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).