1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine

C15H19FN2S — CID 114363402

IUPAC1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCCc1nc(Cc2ccc(F)cc2)sc1CNC
InChIInChI=1S/C15H19FN2S/c1-3-4-13-14(10-17-2)19-15(18-13)9-11-5-7-12(16)8-6-11/h5-8,17H,3-4,9-10H2,1-2H3
InChIKeyPWWZBMNPSFQHHX-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.54
Rot. Bonds6

About 1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114363402) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114363402
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCCc1nc(Cc2ccc(F)cc2)sc1CNC
InChIInChI=1S/C15H19FN2S/c1-3-4-13-14(10-17-2)19-15(18-13)9-11-5-7-12(16)8-6-11/h5-8,17H,3-4,9-10H2,1-2H3
InChIKeyPWWZBMNPSFQHHX-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-2-thiazoleethanamine
CID 1497794
2-(4-Phenyl-thiazol-2-yl)-ethylamine hydrochloride
CID 16192921
US11608337, Example 32
CID 132085789
(4-(4-Methyl-1,3-thiazol-5-yl)phenyl)methanamine
CID 89689879
Dimethyl-[2-(5-methyl-4-phenyl-thiazol-2-ylsulfanyl)-ethyl]-amine
CID 44374298
5-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712584
5-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712728
5-butyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712729
5-(3-methylbutyl)-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712730
5-(2-methylpropyl)-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712731
5-cyclobutyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712732
5-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712733

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114363402) is 1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine is CCCc1nc(Cc2ccc(F)cc2)sc1CNC.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is PWWZBMNPSFQHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-3-4-13-14(10-17-2)19-15(18-13)9-11-5-7-12(16)8-6-11/h5-8,17H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 278.40 g/mol, XLogP of 3.54, 6 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]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114363402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).