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

C10H13N5OS2 — CID 655634

IUPAC2-(1-ethyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCn1nnnc1SCC(=O)NCc1cccs1
InChIInChI=1S/C10H13N5OS2/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)
InChIKeyMIJUCRZDWIVOSQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.16
Rot. Bonds6

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

2-(1-ethyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 655634) has the molecular formula C10H13N5OS2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID655634
Molecular FormulaC10H13N5OS2
Molecular Weight283.38 g/mol
Exact Mass283.06
IUPAC Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCn1nnnc1SCC(=O)NCc1cccs1
InChIInChI=1S/C10H13N5OS2/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)
InChIKeyMIJUCRZDWIVOSQ-UHFFFAOYSA-N
XLogP1.16
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-propyltetrazol-5-yl)thiophene-2-carboxamide
CID 851480
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 1383755
2-(1-Propyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 655852
N-[5-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
CID 3220527
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 1440820
2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 649442
N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2439149
2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 1081025
1-butyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine
CID 1817890
N-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 40560096
1-ethyl-N-(thiophen-2-ylmethyl)-1H-tetrazol-5-amine
CID 4727449
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 17447802

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 655634) is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is CCn1nnnc1SCC(=O)NCc1cccs1.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MIJUCRZDWIVOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS2/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-(thiophen-2-ylmethyl)acetamide?
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 283.38 g/mol, XLogP of 1.16, 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-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 655634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).