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

C14H17FN2S — CID 61281353

IUPACN-[[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(Cc2cccc(F)c2)s1
InChIInChI=1S/C14H17FN2S/c1-10(2)16-8-13-9-17-14(18-13)7-11-4-3-5-12(15)6-11/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyRSAHKIIKYPMKQA-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.37
Rot. Bonds5

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

N-[[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 61281353) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID61281353
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC NameN-[[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(Cc2cccc(F)c2)s1
InChIInChI=1S/C14H17FN2S/c1-10(2)16-8-13-9-17-14(18-13)7-11-4-3-5-12(15)6-11/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyRSAHKIIKYPMKQA-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-one
CID 115091370
N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
CID 55178056
N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404813
N-[[2-(2,5-difluorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63674986
N-[[2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82423969
N-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82423927
N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 62404630
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 102612860
N-[[2-[(3-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114365521
N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695
1-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-one
CID 115091371
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404978

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 61281353) is N-[[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(Cc2cccc(F)c2)s1.
What is the InChIKey of N-[[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is RSAHKIIKYPMKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-10(2)16-8-13-9-17-14(18-13)7-11-4-3-5-12(15)6-11/h3-6,9-10,16H,7-8H2,1-2H3.
What are the key properties of N-[[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 264.37 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-[[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 61281353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).