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

C14H15FN2S — CID 114834511

IUPACN-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCc1nc(CNC2CC2)sc1-c1cccc(F)c1
InChIInChI=1S/C14H15FN2S/c1-9-14(10-3-2-4-11(15)7-10)18-13(17-9)8-16-12-5-6-12/h2-4,7,12,16H,5-6,8H2,1H3
InChIKeyAQHWUNOZESMMGO-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.51
Rot. Bonds4

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

N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 114834511) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID114834511
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC NameN-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCc1nc(CNC2CC2)sc1-c1cccc(F)c1
InChIInChI=1S/C14H15FN2S/c1-9-14(10-3-2-4-11(15)7-10)18-13(17-9)8-16-12-5-6-12/h2-4,7,12,16H,5-6,8H2,1H3
InChIKeyAQHWUNOZESMMGO-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 114834511) is N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]cyclopropanamine is Cc1nc(CNC2CC2)sc1-c1cccc(F)c1.
What is the InChIKey of N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is AQHWUNOZESMMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-9-14(10-3-2-4-11(15)7-10)18-13(17-9)8-16-12-5-6-12/h2-4,7,12,16H,5-6,8H2,1H3.
What are the key properties of N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 262.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114834511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).