N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine

C15H19FN2S2 — CID 66070436

IUPACN-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCCNC(CSc1cccc(F)c1)Cc1csc(C)n1
InChIInChI=1S/C15H19FN2S2/c1-3-17-13(8-14-10-19-11(2)18-14)9-20-15-6-4-5-12(16)7-15/h4-7,10,13,17H,3,8-9H2,1-2H3
InChIKeyGAZYDUALLCGNCH-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.90
Rot. Bonds7

About N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine

N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (PubChem CID 66070436) has the molecular formula C15H19FN2S2 and a molecular weight of 310.46 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
PubChem CID66070436
Molecular FormulaC15H19FN2S2
Molecular Weight310.46 g/mol
Exact Mass310.10
IUPAC NameN-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCCNC(CSc1cccc(F)c1)Cc1csc(C)n1
InChIInChI=1S/C15H19FN2S2/c1-3-17-13(8-14-10-19-11(2)18-14)9-20-15-6-4-5-12(16)7-15/h4-7,10,13,17H,3,8-9H2,1-2H3
InChIKeyGAZYDUALLCGNCH-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 66065316
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66070640
N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66087577
1-(4-fluorophenyl)sulfanyl-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66071610
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049652
1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine
CID 66071258
N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine
CID 82923437
N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine
CID 66073336
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine
CID 83175253
N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798637
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 66070234
1-(3,4-difluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 82922517

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (CID 66070436) is N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is CCNC(CSc1cccc(F)c1)Cc1csc(C)n1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The InChIKey is GAZYDUALLCGNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S2/c1-3-17-13(8-14-10-19-11(2)18-14)9-20-15-6-4-5-12(16)7-15/h4-7,10,13,17H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine has a molecular weight of 310.46 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is sourced from PubChem (CID 66070436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).