N-(2,6-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C12H15N5OS — CID 654446

IUPACN-(2,6-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nnnn1C
InChIInChI=1S/C12H15N5OS/c1-8-5-4-6-9(2)11(8)13-10(18)7-19-12-14-15-16-17(12)3/h4-6H,7H2,1-3H3,(H,13,18)
InChIKeyUZGKUAQXWOTMBS-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.56
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(2,6-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 654446) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID654446
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-(2,6-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nnnn1C
InChIInChI=1S/C12H15N5OS/c1-8-5-4-6-9(2)11(8)13-10(18)7-19-12-14-15-16-17(12)3/h4-6H,7H2,1-3H3,(H,13,18)
InChIKeyUZGKUAQXWOTMBS-UHFFFAOYSA-N
XLogP1.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 654446) is N-(2,6-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cc1cccc(C)c1NC(=O)CSc1nnnn1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is UZGKUAQXWOTMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-8-5-4-6-9(2)11(8)13-10(18)7-19-12-14-15-16-17(12)3/h4-6H,7H2,1-3H3,(H,13,18).
What are the key properties of N-(2,6-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(2,6-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 277.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 654446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).