N-(1,3-benzothiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C11H10N6OS2 — CID 861214

IUPACN-(1,3-benzothiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C11H10N6OS2/c1-17-11(14-15-16-17)19-6-9(18)13-10-12-7-4-2-3-5-8(7)20-10/h2-5H,6H2,1H3,(H,12,13,18)
InChIKeyCVYKPZGRMCTJOI-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.55
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(1,3-benzothiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 861214) has the molecular formula C11H10N6OS2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID861214
Molecular FormulaC11H10N6OS2
Molecular Weight306.38 g/mol
Exact Mass306.04
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C11H10N6OS2/c1-17-11(14-15-16-17)19-6-9(18)13-10-12-7-4-2-3-5-8(7)20-10/h2-5H,6H2,1H3,(H,12,13,18)
InChIKeyCVYKPZGRMCTJOI-UHFFFAOYSA-N
XLogP1.55
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 861214) is N-(1,3-benzothiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is CVYKPZGRMCTJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6OS2/c1-17-11(14-15-16-17)19-6-9(18)13-10-12-7-4-2-3-5-8(7)20-10/h2-5H,6H2,1H3,(H,12,13,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(1,3-benzothiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 306.38 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 861214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).