4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide

C11H12N6O2S — CID 938458

IUPAC4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
SMILESCOc1ccc(C(=O)NC(=S)Nc2nnn(C)n2)cc1
InChIInChI=1S/C11H12N6O2S/c1-17-15-10(14-16-17)13-11(20)12-9(18)7-3-5-8(19-2)6-4-7/h3-6H,1-2H3,(H2,12,13,15,18,20)
InChIKeyDBXOVTUVEZVYTC-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.35
Rot. Bonds3

About 4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide

4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide (PubChem CID 938458) has the molecular formula C11H12N6O2S and a molecular weight of 292.32 g/mol. Its IUPAC name is 4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
PubChem CID938458
Molecular FormulaC11H12N6O2S
Molecular Weight292.32 g/mol
Exact Mass292.07
IUPAC Name4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
SMILESCOc1ccc(C(=O)NC(=S)Nc2nnn(C)n2)cc1
InChIInChI=1S/C11H12N6O2S/c1-17-15-10(14-16-17)13-11(20)12-9(18)7-3-5-8(19-2)6-4-7/h3-6H,1-2H3,(H2,12,13,15,18,20)
InChIKeyDBXOVTUVEZVYTC-UHFFFAOYSA-N
XLogP0.35
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.35
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

Bas 07005712
CID 656143
4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 794237
4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 833404
N-[(diallylamino)carbonothioyl]-4-methoxybenzamide
CID 1791946
N-[5-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 24762116
4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 644396
4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 900454
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 745396
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 2201249
2-methoxy-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
CID 936801
3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 4055929
4-ethoxy-N-(2-ethyl-2H-tetrazol-5-yl)benzamide
CID 654362

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide?
The IUPAC name of 4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide (CID 938458) is 4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide is COc1ccc(C(=O)NC(=S)Nc2nnn(C)n2)cc1.
What is the InChIKey of 4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide?
The InChIKey is DBXOVTUVEZVYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2S/c1-17-15-10(14-16-17)13-11(20)12-9(18)7-3-5-8(19-2)6-4-7/h3-6H,1-2H3,(H2,12,13,15,18,20).
What are the key properties of 4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide?
4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide has a molecular weight of 292.32 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide is sourced from PubChem (CID 938458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).