2-[5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methylethanamine

C15H22FN3S — CID 154705796

IUPAC2-[5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methylethanamine
SMILESCNCCN1C=C(F)CC(C2(c3ncc(C)s3)CC2)C1
InChIInChI=1S/C15H22FN3S/c1-11-8-18-14(20-11)15(3-4-15)12-7-13(16)10-19(9-12)6-5-17-2/h8,10,12,17H,3-7,9H2,1-2H3
InChIKeyFXXHCKRNIOHNDE-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.84
Rot. Bonds5

About 2-[5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methylethanamine

2-[5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methylethanamine (PubChem CID 154705796) has the molecular formula C15H22FN3S and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methylethanamine
PubChem CID154705796
Molecular FormulaC15H22FN3S
Molecular Weight295.43 g/mol
Exact Mass295.15
IUPAC Name2-[5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methylethanamine
SMILESCNCCN1C=C(F)CC(C2(c3ncc(C)s3)CC2)C1
InChIInChI=1S/C15H22FN3S/c1-11-8-18-14(20-11)15(3-4-15)12-7-13(16)10-19(9-12)6-5-17-2/h8,10,12,17H,3-7,9H2,1-2H3
InChIKeyFXXHCKRNIOHNDE-UHFFFAOYSA-N
XLogP2.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methylethanamine with MolForge

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Related Compounds

5-(Fluoromethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 84783508
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 104212743
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104212901
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 104212902
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 104463230
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 104463231
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104463235
3-fluoro-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 104463957
5-(3-Ethylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784094
N,2-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106784524
N-ethyl-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106784525
N-[2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butyl]cyclopropanamine
CID 106784527

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methylethanamine (CID 154705796) is 2-[5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methylethanamine is CNCCN1C=C(F)CC(C2(c3ncc(C)s3)CC2)C1.
What is the InChIKey of 2-[5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methylethanamine?
The InChIKey is FXXHCKRNIOHNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3S/c1-11-8-18-14(20-11)15(3-4-15)12-7-13(16)10-19(9-12)6-5-17-2/h8,10,12,17H,3-7,9H2,1-2H3.
What are the key properties of 2-[5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methylethanamine?
2-[5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methylethanamine has a molecular weight of 295.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]-3,4-dihydro-2H-pyridin-1-yl]-N-methylethanamine is sourced from PubChem (CID 154705796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).