N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide

C14H15N7O2S — CID 135103602

IUPACN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
SMILESNc1n[nH]c(CCNC(=O)c2ccc(CSc3ncccn3)o2)n1
InChIInChI=1S/C14H15N7O2S/c15-13-19-11(20-21-13)4-7-16-12(22)10-3-2-9(23-10)8-24-14-17-5-1-6-18-14/h1-3,5-6H,4,7-8H2,(H,16,22)(H3,15,19,20,21)
InChIKeyYAGFOWPNQNQMCJ-UHFFFAOYSA-N
MW345.39 g/mol
LogP1.03
Rot. Bonds7

About N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide

N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide (PubChem CID 135103602) has the molecular formula C14H15N7O2S and a molecular weight of 345.39 g/mol. Its IUPAC name is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
PubChem CID135103602
Molecular FormulaC14H15N7O2S
Molecular Weight345.39 g/mol
Exact Mass345.10
IUPAC NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
SMILESNc1n[nH]c(CCNC(=O)c2ccc(CSc3ncccn3)o2)n1
InChIInChI=1S/C14H15N7O2S/c15-13-19-11(20-21-13)4-7-16-12(22)10-3-2-9(23-10)8-24-14-17-5-1-6-18-14/h1-3,5-6H,4,7-8H2,(H,16,22)(H3,15,19,20,21)
InChIKeyYAGFOWPNQNQMCJ-UHFFFAOYSA-N
XLogP1.03
TPSA135.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide with MolForge

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Related Compounds

N-(2-phenoxyethyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
CID 50950921
5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 63590097
5-(difluoromethylsulfanylmethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide
CID 64546592
5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide
CID 115668500
methyl 5-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate
CID 741349
5-[[4-(4-benzylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42825016
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide
CID 119074001
5-[[4-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42825115
5-(methylsulfanylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-carboxamide
CID 64548096
N-[3-(1H-imidazol-2-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 91796962
2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide
CID 28783444
3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807337

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide (CID 135103602) is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide is Nc1n[nH]c(CCNC(=O)c2ccc(CSc3ncccn3)o2)n1.
What is the InChIKey of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is YAGFOWPNQNQMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2S/c15-13-19-11(20-21-13)4-7-16-12(22)10-3-2-9(23-10)8-24-14-17-5-1-6-18-14/h1-3,5-6H,4,7-8H2,(H,16,22)(H3,15,19,20,21).
What are the key properties of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide?
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 345.39 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 135103602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).