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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Related Compounds

Benzthiazuron
CID 16007
N-2-Benzothiazolyl-N'-butylurea
CID 99178
S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
N-(1,3-benzothiazol-2-yl)-7-sulfanylheptanamide
CID 11346934
1-(1,3-Benzothiazol-2-yl)-3-propylurea
CID 2130250
N-(1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
CID 843289
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CID 350459
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 894110
3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one
CID 949083
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2431643
N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamide
CID 3997242
2-(1-methylimidazol-2-yl)sulfanyl-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide
CID 4262516

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).