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

C14H19FN4S — CID 66070234

IUPACN-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCNC(CSc1cccc(F)c1)Cc1ncnn1C
InChIInChI=1S/C14H19FN4S/c1-3-16-12(8-14-17-10-18-19(14)2)9-20-13-6-4-5-11(15)7-13/h4-7,10,12,16H,3,8-9H2,1-2H3
InChIKeyWQDIOOCFFMUBMD-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.27
Rot. Bonds7

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

N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 66070234) has the molecular formula C14H19FN4S and a molecular weight of 294.40 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID66070234
Molecular FormulaC14H19FN4S
Molecular Weight294.40 g/mol
Exact Mass294.13
IUPAC NameN-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCNC(CSc1cccc(F)c1)Cc1ncnn1C
InChIInChI=1S/C14H19FN4S/c1-3-16-12(8-14-17-10-18-19(14)2)9-20-13-6-4-5-11(15)7-13/h4-7,10,12,16H,3,8-9H2,1-2H3
InChIKeyWQDIOOCFFMUBMD-UHFFFAOYSA-N
XLogP2.27
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 66071075
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 66053104
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66070640
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049652
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine
CID 83175253
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 66070995
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-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66070436
N-ethyl-1-(3-fluorophenyl)sulfanylnonan-2-amine
CID 66071669
N-ethyl-1-(3-fluorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66071674
N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine
CID 66073336

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine (CID 66070234) is N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine is CCNC(CSc1cccc(F)c1)Cc1ncnn1C.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is WQDIOOCFFMUBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4S/c1-3-16-12(8-14-17-10-18-19(14)2)9-20-13-6-4-5-11(15)7-13/h4-7,10,12,16H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 294.40 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 66070234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).