2-(1-ethyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C10H13N5O2S — CID 650676

IUPAC2-(1-ethyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCn1nnnc1SCC(=O)NCc1ccco1
InChIInChI=1S/C10H13N5O2S/c1-2-15-10(12-13-14-15)18-7-9(16)11-6-8-4-3-5-17-8/h3-5H,2,6-7H2,1H3,(H,11,16)
InChIKeyZYOPCIRTLWAZIH-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.69
Rot. Bonds6

About 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(1-ethyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 650676) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID650676
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCn1nnnc1SCC(=O)NCc1ccco1
InChIInChI=1S/C10H13N5O2S/c1-2-15-10(12-13-14-15)18-7-9(16)11-6-8-4-3-5-17-8/h3-5H,2,6-7H2,1H3,(H,11,16)
InChIKeyZYOPCIRTLWAZIH-UHFFFAOYSA-N
XLogP0.69
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(2-Furylcarbonyl)piperazinyl]-2-(1-methyl(1,2,3,4-tetraazol-5-ylthio))eth an-1-one
CID 1081022
N'-[2-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide
CID 1452258
N-Cyclopentyl-2-[5-furan-2-yl-4-(2-methoxy-ethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 3181289
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 4791375
N-cyclopropyl-2-{[5-(furan-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 6465049
N-cyclohexyl-2-{[5-(furan-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 6500235
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 6916157
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 8338647
N-cyclopentyl-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 16329925
N-(3-acetyl-2-(2-furyl)-1,3,4-thiadiazolin-5-yl)acetamide
CID 3676154
N-Furan-2-ylmethyl-2-(5-isopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 646536
2-(4-Butyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 651365

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 650676) is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is CCn1nnnc1SCC(=O)NCc1ccco1.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ZYOPCIRTLWAZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-2-15-10(12-13-14-15)18-7-9(16)11-6-8-4-3-5-17-8/h3-5H,2,6-7H2,1H3,(H,11,16).
What are the key properties of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 267.31 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 650676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).