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

C16H21FN2S — CID 79439524

IUPAC2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1ncc(CC(CNC(C)C)c2ccccc2F)s1
InChIInChI=1S/C16H21FN2S/c1-11(2)18-9-13(8-14-10-19-12(3)20-14)15-6-4-5-7-16(15)17/h4-7,10-11,13,18H,8-9H2,1-3H3
InChIKeyGSMDTBQZPDALDQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.91
Rot. Bonds6

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

2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 79439524) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
PubChem CID79439524
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC Name2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1ncc(CC(CNC(C)C)c2ccccc2F)s1
InChIInChI=1S/C16H21FN2S/c1-11(2)18-9-13(8-14-10-19-12(3)20-14)15-6-4-5-7-16(15)17/h4-7,10-11,13,18H,8-9H2,1-3H3
InChIKeyGSMDTBQZPDALDQ-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 79416846
2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine
CID 79439686
3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 79434390
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 63019976
5-(3-bromo-2-phenylpropyl)-2-methyl-1,3-thiazole
CID 66042860
1-[2-(difluoromethoxy)phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60777482
2-(2-fluorophenyl)-N-propan-2-yl-4-propylsulfonylbutan-1-amine
CID 106730224
N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine
CID 65431171
2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644240
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
CID 79439048
(1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81379629
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine (CID 79439524) is 2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine is Cc1ncc(CC(CNC(C)C)c2ccccc2F)s1.
What is the InChIKey of 2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is GSMDTBQZPDALDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-11(2)18-9-13(8-14-10-19-12(3)20-14)15-6-4-5-7-16(15)17/h4-7,10-11,13,18H,8-9H2,1-3H3.
What are the key properties of 2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine?
2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79439524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).