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

C12H14FN3S — CID 113471750

IUPACN-[(5-fluoro-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)(NCc1cncc(F)c1)c1nccs1
InChIInChI=1S/C12H14FN3S/c1-12(2,11-15-3-4-17-11)16-7-9-5-10(13)8-14-6-9/h3-6,8,16H,7H2,1-2H3
InChIKeyGEIOTKVCQBTTCF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.70
Rot. Bonds4

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

N-[(5-fluoro-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 113471750) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(5-fluoro-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID113471750
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC NameN-[(5-fluoro-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)(NCc1cncc(F)c1)c1nccs1
InChIInChI=1S/C12H14FN3S/c1-12(2,11-15-3-4-17-11)16-7-9-5-10(13)8-14-6-9/h3-6,8,16H,7H2,1-2H3
InChIKeyGEIOTKVCQBTTCF-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103714587
N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 122132301
4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]aniline
CID 114132033
N-[(5-chloro-2-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103845068
N-[(4-methyl-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103828799
5-fluoro-2-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]benzonitrile
CID 71925815
N-[(5-methyl-2-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 113258267
1-methyl-4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrrole-2-carbonitrile
CID 103527307
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 115654089
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 114130251
N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 113237093
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103714669

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine (CID 113471750) is N-[(5-fluoro-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-[(5-fluoro-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-[(5-fluoro-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine is CC(C)(NCc1cncc(F)c1)c1nccs1.
What is the InChIKey of N-[(5-fluoro-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is GEIOTKVCQBTTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-12(2,11-15-3-4-17-11)16-7-9-5-10(13)8-14-6-9/h3-6,8,16H,7H2,1-2H3.
What are the key properties of N-[(5-fluoro-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
N-[(5-fluoro-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 251.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 113471750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).