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

C16H19FN2S — CID 79440371

IUPACN-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine
SMILESCc1nc(CC(CNC2CC2)c2cccc(F)c2)cs1
InChIInChI=1S/C16H19FN2S/c1-11-19-16(10-20-11)8-13(9-18-15-5-6-15)12-3-2-4-14(17)7-12/h2-4,7,10,13,15,18H,5-6,8-9H2,1H3
InChIKeyQGXSTJHUGWTTER-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.67
Rot. Bonds6

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

N-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine (PubChem CID 79440371) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine
PubChem CID79440371
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC NameN-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine
SMILESCc1nc(CC(CNC2CC2)c2cccc(F)c2)cs1
InChIInChI=1S/C16H19FN2S/c1-11-19-16(10-20-11)8-13(9-18-15-5-6-15)12-3-2-4-14(17)7-12/h2-4,7,10,13,15,18H,5-6,8-9H2,1H3
InChIKeyQGXSTJHUGWTTER-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79441055
4-[3-bromo-2-(3-fluorophenyl)propyl]-2-methyl-1,3-thiazole
CID 79430289
N-[2-(3-fluorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053416
N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine
CID 112644215
N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79440980
N-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79440449
N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79432897
N-[2-(3-fluorophenyl)nonyl]cyclopropanamine
CID 79440903
N-[2-(3-fluorophenyl)-4-methylheptyl]cyclopropanamine
CID 79440904
N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine
CID 79441057
2-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 79443123
1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51083600

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine (CID 79440371) is N-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine is Cc1nc(CC(CNC2CC2)c2cccc(F)c2)cs1.
What is the InChIKey of N-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine?
The InChIKey is QGXSTJHUGWTTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-11-19-16(10-20-11)8-13(9-18-15-5-6-15)12-3-2-4-14(17)7-12/h2-4,7,10,13,15,18H,5-6,8-9H2,1H3.
What are the key properties of N-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine?
N-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine has a molecular weight of 290.41 g/mol, XLogP of 3.67, 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-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine is sourced from PubChem (CID 79440371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).