N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine

C15H17FN2S — CID 112644215

IUPACN-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine
SMILESFc1cccc(C(CNC2CC2)Cc2cncs2)c1
InChIInChI=1S/C15H17FN2S/c16-13-3-1-2-11(6-13)12(8-18-14-4-5-14)7-15-9-17-10-19-15/h1-3,6,9-10,12,14,18H,4-5,7-8H2
InChIKeyYZCCNQVTVIENBU-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.36
Rot. Bonds6

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

N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine (PubChem CID 112644215) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine
PubChem CID112644215
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC NameN-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine
SMILESFc1cccc(C(CNC2CC2)Cc2cncs2)c1
InChIInChI=1S/C15H17FN2S/c16-13-3-1-2-11(6-13)12(8-18-14-4-5-14)7-15-9-17-10-19-15/h1-3,6,9-10,12,14,18H,4-5,7-8H2
InChIKeyYZCCNQVTVIENBU-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine
CID 115979461
N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79440980
N-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine
CID 79440371
N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79432897
N-[2-(3-fluorophenyl)nonyl]cyclopropanamine
CID 79440903
N-[2-(3-fluorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053416
N-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79440449
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 117242573
N-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine
CID 115979389
N-[2-(3-fluorophenyl)-4-methylheptyl]cyclopropanamine
CID 79440904
N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine
CID 79441057

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine (CID 112644215) is N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine is Fc1cccc(C(CNC2CC2)Cc2cncs2)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine?
The InChIKey is YZCCNQVTVIENBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c16-13-3-1-2-11(6-13)12(8-18-14-4-5-14)7-15-9-17-10-19-15/h1-3,6,9-10,12,14,18H,4-5,7-8H2.
What are the key properties of N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine?
N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine has a molecular weight of 276.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine is sourced from PubChem (CID 112644215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).