N-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide

C12H14N6O2S — CID 953658

IUPACN-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide
SMILESCCn1nnc(NC(=S)NC(=O)COc2ccccc2)n1
InChIInChI=1S/C12H14N6O2S/c1-2-18-16-11(15-17-18)14-12(21)13-10(19)8-20-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,13,14,16,19,21)
InChIKeyLGNQPWAFULRVOP-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.58
Rot. Bonds5

About N-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide

N-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide (PubChem CID 953658) has the molecular formula C12H14N6O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide
PubChem CID953658
Molecular FormulaC12H14N6O2S
Molecular Weight306.35 g/mol
Exact Mass306.09
IUPAC NameN-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide
SMILESCCn1nnc(NC(=S)NC(=O)COc2ccccc2)n1
InChIInChI=1S/C12H14N6O2S/c1-2-18-16-11(15-17-18)14-12(21)13-10(19)8-20-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,13,14,16,19,21)
InChIKeyLGNQPWAFULRVOP-UHFFFAOYSA-N
XLogP0.58
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.58
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

N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 9184933
2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide
CID 9185026
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-phenoxyacetamide
CID 960876
2-(4-cyclohexylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide
CID 953175
N-[(2-butyltetrazol-5-yl)carbamothioyl]-4-phenylmethoxybenzamide
CID 3422099
2-[4-[(2-phenoxyacetyl)carbamothioylamino]phenyl]acetic acid
CID 28688595
methyl 4-[(2-phenoxyacetyl)carbamothioylamino]benzoate
CID 692113
N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide
CID 1014402
N-[(3-methylphenyl)carbamothioyl]-2-phenoxyacetamide
CID 769592
N-[[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]-2-phenoxyacetamide
CID 4238649
N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide
CID 169359471
N-[(2-methylphenyl)carbamothioyl]-2-[4-[2-[(2-methylphenyl)carbamothioylamino]-2-oxoethoxy]phenoxy]acetamide
CID 3644357

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide?
The IUPAC name of N-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide (CID 953658) is N-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide is CCn1nnc(NC(=S)NC(=O)COc2ccccc2)n1.
What is the InChIKey of N-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide?
The InChIKey is LGNQPWAFULRVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2S/c1-2-18-16-11(15-17-18)14-12(21)13-10(19)8-20-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,13,14,16,19,21).
What are the key properties of N-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide?
N-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide has a molecular weight of 306.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide is sourced from PubChem (CID 953658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).