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

C17H23FN2S — CID 63020146

IUPAC2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cccc(F)c1)Cc1cnc(C)s1
InChIInChI=1S/C17H23FN2S/c1-3-7-19-11-15(10-17-12-20-13(2)21-17)8-14-5-4-6-16(18)9-14/h4-6,9,12,15,19H,3,7-8,10-11H2,1-2H3
InChIKeyNUJNABKUMMGTNX-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.99
Rot. Bonds8

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

2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine (PubChem CID 63020146) has the molecular formula C17H23FN2S and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
PubChem CID63020146
Molecular FormulaC17H23FN2S
Molecular Weight306.45 g/mol
Exact Mass306.16
IUPAC Name2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cccc(F)c1)Cc1cnc(C)s1
InChIInChI=1S/C17H23FN2S/c1-3-7-19-11-15(10-17-12-20-13(2)21-17)8-14-5-4-6-16(18)9-14/h4-6,9,12,15,19H,3,7-8,10-11H2,1-2H3
InChIKeyNUJNABKUMMGTNX-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.99
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

2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine
CID 62998676
2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 63020323
2-[(3-bromophenyl)methyl]-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 55143678
2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 62550386
2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 63019615
2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-propylpropan-1-amine
CID 63521377
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 63019976
N-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine
CID 63019452
5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole
CID 66050768
N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62751596
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 55134646
2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine
CID 63522811

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine (CID 63020146) is 2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine is CCCNCC(Cc1cccc(F)c1)Cc1cnc(C)s1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
The InChIKey is NUJNABKUMMGTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2S/c1-3-7-19-11-15(10-17-12-20-13(2)21-17)8-14-5-4-6-16(18)9-14/h4-6,9,12,15,19H,3,7-8,10-11H2,1-2H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine has a molecular weight of 306.45 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 63020146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).