1-(4-ethoxyphenyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]propan-1-amine

C19H24N4O2S — CID 131909236

IUPAC1-(4-ethoxyphenyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]propan-1-amine
SMILESCCOc1ccc(C(CC)NCc2ccc(Sc3nncn3C)o2)cc1
InChIInChI=1S/C19H24N4O2S/c1-4-17(14-6-8-15(9-7-14)24-5-2)20-12-16-10-11-18(25-16)26-19-22-21-13-23(19)3/h6-11,13,17,20H,4-5,12H2,1-3H3
InChIKeyPJPCBNOLNJEJRG-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.20
Rot. Bonds9

About 1-(4-ethoxyphenyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]propan-1-amine

1-(4-ethoxyphenyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 131909236) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]propan-1-amine
PubChem CID131909236
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name1-(4-ethoxyphenyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]propan-1-amine
SMILESCCOc1ccc(C(CC)NCc2ccc(Sc3nncn3C)o2)cc1
InChIInChI=1S/C19H24N4O2S/c1-4-17(14-6-8-15(9-7-14)24-5-2)20-12-16-10-11-18(25-16)26-19-22-21-13-23(19)3/h6-11,13,17,20H,4-5,12H2,1-3H3
InChIKeyPJPCBNOLNJEJRG-UHFFFAOYSA-N
XLogP4.20
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-ethoxyphenyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine
CID 131898308
N,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine
CID 170867227
5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile
CID 115651531
N-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702990
(2S)-N-(4-ethoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8977759
1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone
CID 104651883
(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 93317247
1-(3,4-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64649527
N-[1-(4-ethoxyphenyl)ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide
CID 55477741
N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine
CID 126806210
1-(4-ethoxyphenyl)-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 104604579
N-methyl-1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]propan-1-amine
CID 112585020

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]propan-1-amine (CID 131909236) is 1-(4-ethoxyphenyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]propan-1-amine is CCOc1ccc(C(CC)NCc2ccc(Sc3nncn3C)o2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is PJPCBNOLNJEJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-4-17(14-6-8-15(9-7-14)24-5-2)20-12-16-10-11-18(25-16)26-19-22-21-13-23(19)3/h6-11,13,17,20H,4-5,12H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]propan-1-amine?
1-(4-ethoxyphenyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 372.49 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 131909236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).