[4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine

C13H15N5OS2 — CID 63314037

IUPAC[4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1SCc1csc(-c2ccco2)n1
InChIInChI=1S/C13H15N5OS2/c1-2-18-11(6-14)16-17-13(18)21-8-9-7-20-12(15-9)10-4-3-5-19-10/h3-5,7H,2,6,8,14H2,1H3
InChIKeyGBHCFDONGBNGJI-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.77
Rot. Bonds6

About [4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine

[4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 63314037) has the molecular formula C13H15N5OS2 and a molecular weight of 321.43 g/mol. Its IUPAC name is [4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID63314037
Molecular FormulaC13H15N5OS2
Molecular Weight321.43 g/mol
Exact Mass321.07
IUPAC Name[4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1SCc1csc(-c2ccco2)n1
InChIInChI=1S/C13H15N5OS2/c1-2-18-11(6-14)16-17-13(18)21-8-9-7-20-12(15-9)10-4-3-5-19-10/h3-5,7H,2,6,8,14H2,1H3
InChIKeyGBHCFDONGBNGJI-UHFFFAOYSA-N
XLogP2.77
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine with MolForge

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Related Compounds

2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
CID 47142123
3-[3-(furan-2-yl)-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-yl]propanamide
CID 33224314
2-(furan-2-yl)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanylmethyl)-1,3-thiazole
CID 30386707
4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole
CID 31398044
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
CID 43249527
3-(furan-2-yl)-5-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 7638270
2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 47019397
2-(furan-2-yl)-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 55529697
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine
CID 66243923
4-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole
CID 112809319
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 32919428
2-(2-chlorophenyl)-4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 7817060

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine (CID 63314037) is [4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine is CCn1c(CN)nnc1SCc1csc(-c2ccco2)n1.
What is the InChIKey of [4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is GBHCFDONGBNGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS2/c1-2-18-11(6-14)16-17-13(18)21-8-9-7-20-12(15-9)10-4-3-5-19-10/h3-5,7H,2,6,8,14H2,1H3.
What are the key properties of [4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine?
[4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 321.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 63314037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).