N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine

C14H17FN2S — CID 82103158

IUPACN-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C14H17FN2S/c1-2-8-16-9-7-14-17-13(10-18-14)11-3-5-12(15)6-4-11/h3-6,10,16H,2,7-9H2,1H3
InChIKeyUQUXEXOMQYHYGL-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.49
Rot. Bonds6

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

N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine (PubChem CID 82103158) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
PubChem CID82103158
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC NameN-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C14H17FN2S/c1-2-8-16-9-7-14-17-13(10-18-14)11-3-5-12(15)6-4-11/h3-6,10,16H,2,7-9H2,1H3
InChIKeyUQUXEXOMQYHYGL-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 82103269
N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
CID 82102821
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694
2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole
CID 82117610
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965132
N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129658
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine
CID 82103393
methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate
CID 94276835
N-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]-3-methoxypropan-1-amine
CID 82103057
N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103175
N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120558492

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine (CID 82103158) is N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine is CCCNCCc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is UQUXEXOMQYHYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-2-8-16-9-7-14-17-13(10-18-14)11-3-5-12(15)6-4-11/h3-6,10,16H,2,7-9H2,1H3.
What are the key properties of N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine?
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 82103158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).