2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide

C11H14N6OS — CID 651022

IUPAC2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide
SMILESCCn1nnnc1SCC(=O)Nc1cccc(C)n1
InChIInChI=1S/C11H14N6OS/c1-3-17-11(14-15-16-17)19-7-10(18)13-9-6-4-5-8(2)12-9/h4-6H,3,7H2,1-2H3,(H,12,13,18)
InChIKeyRHIBTYCKWOTCFD-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.13
Rot. Bonds5

About 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide

2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 651022) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID651022
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide
SMILESCCn1nnnc1SCC(=O)Nc1cccc(C)n1
InChIInChI=1S/C11H14N6OS/c1-3-17-11(14-15-16-17)19-7-10(18)13-9-6-4-5-8(2)12-9/h4-6H,3,7H2,1-2H3,(H,12,13,18)
InChIKeyRHIBTYCKWOTCFD-UHFFFAOYSA-N
XLogP1.13
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide (CID 651022) is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide is CCn1nnnc1SCC(=O)Nc1cccc(C)n1.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is RHIBTYCKWOTCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-3-17-11(14-15-16-17)19-7-10(18)13-9-6-4-5-8(2)12-9/h4-6H,3,7H2,1-2H3,(H,12,13,18).
What are the key properties of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide?
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 278.34 g/mol, XLogP of 1.13, 5 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-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 651022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).