1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine

C13H15FN2S — CID 115091635

IUPAC1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C13H15FN2S/c1-9(15)6-12-8-16-13(17-12)7-10-2-4-11(14)5-3-10/h2-5,8-9H,6-7,15H2,1H3
InChIKeyKCSJBVDQZFDXIZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.76
Rot. Bonds4

About 1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine

1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 115091635) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine
PubChem CID115091635
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C13H15FN2S/c1-9(15)6-12-8-16-13(17-12)7-10-2-4-11(14)5-3-10/h2-5,8-9H,6-7,15H2,1H3
InChIKeyKCSJBVDQZFDXIZ-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404813
1-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 115091580
[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054476
1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine
CID 62757363
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole
CID 82422430
methyl 3-[[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]amino]butanoate
CID 56823982
N-[[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 61281353
1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115092014
1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine
CID 80640056
2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol
CID 115091474
2-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 93195048

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine (CID 115091635) is 1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine is CC(N)Cc1cnc(Cc2ccc(F)cc2)s1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is KCSJBVDQZFDXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-9(15)6-12-8-16-13(17-12)7-10-2-4-11(14)5-3-10/h2-5,8-9H,6-7,15H2,1H3.
What are the key properties of 1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 250.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 115091635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).