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

C15H19FN2S2 — CID 66052320

IUPACN-ethyl-1-(2-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCCNC(CSc1ccccc1F)Cc1csc(C)n1
InChIInChI=1S/C15H19FN2S2/c1-3-17-12(8-13-10-19-11(2)18-13)9-20-15-7-5-4-6-14(15)16/h4-7,10,12,17H,3,8-9H2,1-2H3
InChIKeyAGKPUYBKWZLOHS-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.90
Rot. Bonds7

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

N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (PubChem CID 66052320) has the molecular formula C15H19FN2S2 and a molecular weight of 310.46 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
PubChem CID66052320
Molecular FormulaC15H19FN2S2
Molecular Weight310.46 g/mol
Exact Mass310.10
IUPAC NameN-ethyl-1-(2-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCCNC(CSc1ccccc1F)Cc1csc(C)n1
InChIInChI=1S/C15H19FN2S2/c1-3-17-12(8-13-10-19-11(2)18-13)9-20-15-7-5-4-6-14(15)16/h4-7,10,12,17H,3,8-9H2,1-2H3
InChIKeyAGKPUYBKWZLOHS-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

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CID 7119042
CID 7119042
CID 50959377
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CID 75379430
CID 75379430
CID 143299331
CID 143299331
CID 143840616
CID 143840616
CID 146532831
CID 146532831
CID 10739610
CID 10739610
CID 24252970
CID 24252970
CID 28781033
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CID 28781058
CID 28781058

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (CID 66052320) is N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is CCNC(CSc1ccccc1F)Cc1csc(C)n1.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The InChIKey is AGKPUYBKWZLOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S2/c1-3-17-12(8-13-10-19-11(2)18-13)9-20-15-7-5-4-6-14(15)16/h4-7,10,12,17H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
N-ethyl-1-(2-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-(2-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is sourced from PubChem (CID 66052320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).