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

C16H21FN2S — CID 50949095

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-fluorophenyl)propan-2-amine
SMILESCCc1nc(C)sc1CNC(C)Cc1ccccc1F
InChIInChI=1S/C16H21FN2S/c1-4-15-16(20-12(3)19-15)10-18-11(2)9-13-7-5-6-8-14(13)17/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyHZWUYAIFTFSJHU-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.87
Rot. Bonds6

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

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-fluorophenyl)propan-2-amine (PubChem CID 50949095) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-fluorophenyl)propan-2-amine
PubChem CID50949095
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-fluorophenyl)propan-2-amine
SMILESCCc1nc(C)sc1CNC(C)Cc1ccccc1F
InChIInChI=1S/C16H21FN2S/c1-4-15-16(20-12(3)19-15)10-18-11(2)9-13-7-5-6-8-14(13)17/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyHZWUYAIFTFSJHU-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 132085809
4-Phenyl-2-thiazoleethanamine
CID 1497794
US11608337, Example 32
CID 132085789
5-({[(Isopropylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-2-phenyl-1,3-thiazole
CID 9581920
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
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[(1S)-1-phenylethyl]thiourea
CID 164611807
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[(1R)-1-phenylethyl]thiourea
CID 164616851

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-fluorophenyl)propan-2-amine (CID 50949095) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-fluorophenyl)propan-2-amine is CCc1nc(C)sc1CNC(C)Cc1ccccc1F.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is HZWUYAIFTFSJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-4-15-16(20-12(3)19-15)10-18-11(2)9-13-7-5-6-8-14(13)17/h5-8,11,18H,4,9-10H2,1-3H3.
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-fluorophenyl)propan-2-amine?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 292.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 50949095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).