2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine

C11H12FN3S — CID 112583390

IUPAC2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
SMILESCc1sc(CCN)nc1-c1ccc(F)cn1
InChIInChI=1S/C11H12FN3S/c1-7-11(15-10(16-7)4-5-13)9-3-2-8(12)6-14-9/h2-3,6H,4-5,13H2,1H3
InChIKeyDJBFHTQUEKKCNE-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.15
Rot. Bonds3

About 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine

2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine (PubChem CID 112583390) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
PubChem CID112583390
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
SMILESCc1sc(CCN)nc1-c1ccc(F)cn1
InChIInChI=1S/C11H12FN3S/c1-7-11(15-10(16-7)4-5-13)9-3-2-8(12)6-14-9/h2-3,6H,4-5,13H2,1H3
InChIKeyDJBFHTQUEKKCNE-UHFFFAOYSA-N
XLogP2.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112585209
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 112585736
[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]hydrazine
CID 112586126
1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine
CID 112583423
1-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine
CID 112583395
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 39353020
2-(4-bromophenyl)-4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole
CID 115941752
2-[5-methyl-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 82106393
2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 82106276
[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methanamine
CID 83129731
[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine
CID 79712640
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 112585762

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine (CID 112583390) is 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine is Cc1sc(CCN)nc1-c1ccc(F)cn1.
What is the InChIKey of 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine?
The InChIKey is DJBFHTQUEKKCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c1-7-11(15-10(16-7)4-5-13)9-3-2-8(12)6-14-9/h2-3,6H,4-5,13H2,1H3.
What are the key properties of 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine?
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine has a molecular weight of 237.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 112583390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).