3,5-dichloro-2-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide

C11H10Cl2N6O2S — CID 2024113

IUPAC3,5-dichloro-2-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1nnn(C)n1
InChIInChI=1S/C11H10Cl2N6O2S/c1-19-17-10(16-18-19)15-11(22)14-9(20)6-3-5(12)4-7(13)8(6)21-2/h3-4H,1-2H3,(H2,14,15,17,20,22)
InChIKeySUVWAZDBUOXSNA-UHFFFAOYSA-N
MW361.21 g/mol
LogP1.65
Rot. Bonds3

About 3,5-dichloro-2-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide

3,5-dichloro-2-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide (PubChem CID 2024113) has the molecular formula C11H10Cl2N6O2S and a molecular weight of 361.21 g/mol. Its IUPAC name is 3,5-dichloro-2-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-2-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
PubChem CID2024113
Molecular FormulaC11H10Cl2N6O2S
Molecular Weight361.21 g/mol
Exact Mass360.00
IUPAC Name3,5-dichloro-2-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1nnn(C)n1
InChIInChI=1S/C11H10Cl2N6O2S/c1-19-17-10(16-18-19)15-11(22)14-9(20)6-3-5(12)4-7(13)8(6)21-2/h3-4H,1-2H3,(H2,14,15,17,20,22)
InChIKeySUVWAZDBUOXSNA-UHFFFAOYSA-N
XLogP1.65
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 51.65
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

5-bromo-2-methoxy-3-methyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 2961322
3,5-dimethoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 931341
3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 931371
3,5-dichloro-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 5254358
3,5-dichloro-N-[(4-ethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 5068179
2-[(3,5-dichloro-2-methoxybenzoyl)carbamothioylamino]benzoic acid
CID 4506814
5-(4-chlorophenyl)-N-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide
CID 17334481
3,5-dichloro-2-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide
CID 1048337
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624
2-[(3,5-dichloro-2-methoxybenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid
CID 3249221
N-[(2-methyltetrazol-5-yl)carbamothioyl]butanamide
CID 5200751
4-ethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 953458

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide?
The IUPAC name of 3,5-dichloro-2-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide (CID 2024113) is 3,5-dichloro-2-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide.
What is the SMILES notation for 3,5-dichloro-2-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide?
The canonical SMILES for 3,5-dichloro-2-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide is COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1nnn(C)n1.
What is the InChIKey of 3,5-dichloro-2-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide?
The InChIKey is SUVWAZDBUOXSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N6O2S/c1-19-17-10(16-18-19)15-11(22)14-9(20)6-3-5(12)4-7(13)8(6)21-2/h3-4H,1-2H3,(H2,14,15,17,20,22).
What are the key properties of 3,5-dichloro-2-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide?
3,5-dichloro-2-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide has a molecular weight of 361.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide is sourced from PubChem (CID 2024113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).