N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine

C13H15FN2S — CID 61332798

IUPACN-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1nccs1
InChIInChI=1S/C13H15FN2S/c1-2-6-15-12(13-16-7-8-17-13)10-4-3-5-11(14)9-10/h3-5,7-9,12,15H,2,6H2,1H3
InChIKeyPEOYGRUKRSSTKM-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.37
Rot. Bonds5

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

N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 61332798) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID61332798
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC NameN-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1nccs1
InChIInChI=1S/C13H15FN2S/c1-2-6-15-12(13-16-7-8-17-13)10-4-3-5-11(14)9-10/h3-5,7-9,12,15H,2,6H2,1H3
InChIKeyPEOYGRUKRSSTKM-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332776
N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 60818747
N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114077447
N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332803
N-[(3,4-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332600
N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332586
N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine
CID 61347143
N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43494013
N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859186
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 105379123
N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 82741174
N-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 115791930

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine (CID 61332798) is N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1)c1nccs1.
What is the InChIKey of N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is PEOYGRUKRSSTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-2-6-15-12(13-16-7-8-17-13)10-4-3-5-11(14)9-10/h3-5,7-9,12,15H,2,6H2,1H3.
What are the key properties of N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 250.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 61332798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).