N-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine

C16H19FN2S — CID 114367103

IUPACN-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(Cc2cccc(F)c2)nc1C1CC1
InChIInChI=1S/C16H19FN2S/c1-2-18-10-14-16(12-6-7-12)19-15(20-14)9-11-4-3-5-13(17)8-11/h3-5,8,12,18H,2,6-7,9-10H2,1H3
InChIKeyPNRYPUMERIYKMH-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.86
Rot. Bonds6

About N-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114367103) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114367103
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC NameN-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(Cc2cccc(F)c2)nc1C1CC1
InChIInChI=1S/C16H19FN2S/c1-2-18-10-14-16(12-6-7-12)19-15(20-14)9-11-4-3-5-13(17)8-11/h3-5,8,12,18H,2,6-7,9-10H2,1H3
InChIKeyPNRYPUMERIYKMH-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367162
N-[[4-ethyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841471
N-[[2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62403730
N-[(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82436086
N-[[2-[(3-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114365521
1-[4-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366991
N-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367130
N-[[2-(3-bromo-5-fluorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367216
N-[[2-[(3,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62403204
N-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 66073362
4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 63917766
N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82437255

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine (CID 114367103) is N-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(Cc2cccc(F)c2)nc1C1CC1.
What is the InChIKey of N-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is PNRYPUMERIYKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-2-18-10-14-16(12-6-7-12)19-15(20-14)9-11-4-3-5-13(17)8-11/h3-5,8,12,18H,2,6-7,9-10H2,1H3.
What are the key properties of N-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 290.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114367103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).