2-(furan-2-yl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C18H17N5O2S — CID 20770655

IUPAC2-(furan-2-yl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1ccc(CCSc2cc3nc(-c4ccco4)nn3c(N)n2)cc1
InChIInChI=1S/C18H17N5O2S/c1-24-13-6-4-12(5-7-13)8-10-26-16-11-15-20-17(14-3-2-9-25-14)22-23(15)18(19)21-16/h2-7,9,11H,8,10H2,1H3,(H2,19,21)
InChIKeyZXCVHJXQJJLILE-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.31
Rot. Bonds6

About 2-(furan-2-yl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-(furan-2-yl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 20770655) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID20770655
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-(furan-2-yl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1ccc(CCSc2cc3nc(-c4ccco4)nn3c(N)n2)cc1
InChIInChI=1S/C18H17N5O2S/c1-24-13-6-4-12(5-7-13)8-10-26-16-11-15-20-17(14-3-2-9-25-14)22-23(15)18(19)21-16/h2-7,9,11H,8,10H2,1H3,(H2,19,21)
InChIKeyZXCVHJXQJJLILE-UHFFFAOYSA-N
XLogP3.31
TPSA91.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(furan-2-yl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N7-(4-fluorophenethyl)-2-(furan-2-yl)-N7-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 44571407
4-(Furan-2-yl)-11-methyl-12-methylsulfanyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 9904456
2-(furan-2-yl)-8-methyl-9-(propylthio)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10065148
2-Furan-2-yl-7-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10125423
2-Furan-2-yl-7-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10125605
7-(3,4-Dimethoxy-phenyl)-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10149932
2-Furan-2-yl-7-o-tolyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10193030
2-(Furan-2-yl)-7-(3-(4-methoxyphenyl)propyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10193594
2-Furan-2-yl-7-p-tolyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10214838
2-(Furan-2-YL)-7-phenyl-[1,2,4]triazolo[1,5-C]pyrimidin-5-amine
CID 10236339
2-Furan-2-yl-7-m-tolyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10286225
1-[4-(Furan-2-yl)-11-methyl-12-methylsulfanyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methoxyphenyl)urea
CID 10874051

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-(furan-2-yl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 20770655) is 2-(furan-2-yl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-(furan-2-yl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-(furan-2-yl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is COc1ccc(CCSc2cc3nc(-c4ccco4)nn3c(N)n2)cc1.
What is the InChIKey of 2-(furan-2-yl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is ZXCVHJXQJJLILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-24-13-6-4-12(5-7-13)8-10-26-16-11-15-20-17(14-3-2-9-25-14)22-23(15)18(19)21-16/h2-7,9,11H,8,10H2,1H3,(H2,19,21).
What are the key properties of 2-(furan-2-yl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-(furan-2-yl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 367.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-[2-(4-methoxyphenyl)ethylsulfanyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 20770655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).