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

C11H12N6OS2 — CID 3212918

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCc1sc(NC(=O)CSc2nnnn2C)c(C#N)c1C
InChIInChI=1S/C11H12N6OS2/c1-6-7(2)20-10(8(6)4-12)13-9(18)5-19-11-14-15-16-17(11)3/h5H2,1-3H3,(H,13,18)
InChIKeyHQKLOFSOOINVKF-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.49
Rot. Bonds4

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

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 3212918) has the molecular formula C11H12N6OS2 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID3212918
Molecular FormulaC11H12N6OS2
Molecular Weight308.39 g/mol
Exact Mass308.05
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCc1sc(NC(=O)CSc2nnnn2C)c(C#N)c1C
InChIInChI=1S/C11H12N6OS2/c1-6-7(2)20-10(8(6)4-12)13-9(18)5-19-11-14-15-16-17(11)3/h5H2,1-3H3,(H,13,18)
InChIKeyHQKLOFSOOINVKF-UHFFFAOYSA-N
XLogP1.49
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.49
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-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 3212918) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cc1sc(NC(=O)CSc2nnnn2C)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is HQKLOFSOOINVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS2/c1-6-7(2)20-10(8(6)4-12)13-9(18)5-19-11-14-15-16-17(11)3/h5H2,1-3H3,(H,13,18).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 308.39 g/mol, XLogP of 1.49, 4 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-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 3212918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).