N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

C14H15N5O2S2 — CID 131948393

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCc1nc(CNC(=O)CSc2n[nH]c(-c3ccco3)n2)cs1
InChIInChI=1S/C14H15N5O2S2/c1-2-12-16-9(7-22-12)6-15-11(20)8-23-14-17-13(18-19-14)10-4-3-5-21-10/h3-5,7H,2,6,8H2,1H3,(H,15,20)(H,17,18,19)
InChIKeyLYKAJYLCIDLVPL-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.49
Rot. Bonds7

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 131948393) has the molecular formula C14H15N5O2S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID131948393
Molecular FormulaC14H15N5O2S2
Molecular Weight349.44 g/mol
Exact Mass349.07
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCc1nc(CNC(=O)CSc2n[nH]c(-c3ccco3)n2)cs1
InChIInChI=1S/C14H15N5O2S2/c1-2-12-16-9(7-22-12)6-15-11(20)8-23-14-17-13(18-19-14)10-4-3-5-21-10/h3-5,7H,2,6,8H2,1H3,(H,15,20)(H,17,18,19)
InChIKeyLYKAJYLCIDLVPL-UHFFFAOYSA-N
XLogP2.49
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7557212
N-benzyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3901344
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 5177686
2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 8885286
N-[(3-ethylthiophen-2-yl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 71856442
N-(thiophen-2-ylmethylcarbamoyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 34787943
2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 2081928
N-ethyl-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 46987131
N-[(2-methoxyphenyl)methyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16536463
4-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
CID 6957718
2-ethyl-4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 86918636
2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 8885161

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 131948393) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCc1nc(CNC(=O)CSc2n[nH]c(-c3ccco3)n2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is LYKAJYLCIDLVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S2/c1-2-12-16-9(7-22-12)6-15-11(20)8-23-14-17-13(18-19-14)10-4-3-5-21-10/h3-5,7H,2,6,8H2,1H3,(H,15,20)(H,17,18,19).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 131948393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).