2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide

C12H14N6O2S — CID 9185026

IUPAC2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide
SMILESCc1ccccc1OCC(=O)NC(=S)Nc1nnn(C)n1
InChIInChI=1S/C12H14N6O2S/c1-8-5-3-4-6-9(8)20-7-10(19)13-12(21)14-11-15-17-18(2)16-11/h3-6H,7H2,1-2H3,(H2,13,14,16,19,21)
InChIKeySMEWMKOYOAIFMF-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.41
Rot. Bonds4

About 2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide

2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide (PubChem CID 9185026) has the molecular formula C12H14N6O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide
PubChem CID9185026
Molecular FormulaC12H14N6O2S
Molecular Weight306.35 g/mol
Exact Mass306.09
IUPAC Name2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide
SMILESCc1ccccc1OCC(=O)NC(=S)Nc1nnn(C)n1
InChIInChI=1S/C12H14N6O2S/c1-8-5-3-4-6-9(8)20-7-10(19)13-12(21)14-11-15-17-18(2)16-11/h3-6H,7H2,1-2H3,(H2,13,14,16,19,21)
InChIKeySMEWMKOYOAIFMF-UHFFFAOYSA-N
XLogP0.41
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenoxy)-N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4506420
2-(2,4-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
CID 654531
N-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 833807
N-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide
CID 953658
ethyl 4-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoate
CID 4635289
N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 17104860
N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 17100301
N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 22775369
N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 23961305
2-chloro-5-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid
CID 4507057
N-[[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylphenyl]carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 3737257
2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide
CID 916660

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide (CID 9185026) is 2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide is Cc1ccccc1OCC(=O)NC(=S)Nc1nnn(C)n1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide?
The InChIKey is SMEWMKOYOAIFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2S/c1-8-5-3-4-6-9(8)20-7-10(19)13-12(21)14-11-15-17-18(2)16-11/h3-6H,7H2,1-2H3,(H2,13,14,16,19,21).
What are the key properties of 2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide?
2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide has a molecular weight of 306.35 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide is sourced from PubChem (CID 9185026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).