N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

C12H14N6OS2 — CID 3212922

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C12H14N6OS2/c1-4-18-12(15-16-17-18)20-6-10(19)14-11-9(5-13)7(2)8(3)21-11/h4,6H2,1-3H3,(H,14,19)
InChIKeyLLVDPRGFEJGWHF-UHFFFAOYSA-N
MW322.42 g/mol
LogP1.97
Rot. Bonds5

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (PubChem CID 3212922) has the molecular formula C12H14N6OS2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
PubChem CID3212922
Molecular FormulaC12H14N6OS2
Molecular Weight322.42 g/mol
Exact Mass322.07
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C12H14N6OS2/c1-4-18-12(15-16-17-18)20-6-10(19)14-11-9(5-13)7(2)8(3)21-11/h4,6H2,1-3H3,(H,14,19)
InChIKeyLLVDPRGFEJGWHF-UHFFFAOYSA-N
XLogP1.97
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (CID 3212922) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is CCn1nnnc1SCC(=O)Nc1sc(C)c(C)c1C#N.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is LLVDPRGFEJGWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS2/c1-4-18-12(15-16-17-18)20-6-10(19)14-11-9(5-13)7(2)8(3)21-11/h4,6H2,1-3H3,(H,14,19).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 322.42 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 3212922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).