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

C10H10N6OS — CID 953455

IUPACN-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
SMILESCn1nnc(NC(=S)NC(=O)c2ccccc2)n1
InChIInChI=1S/C10H10N6OS/c1-16-14-9(13-15-16)12-10(18)11-8(17)7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,14,17,18)
InChIKeyHUJQOHMOYGRIRS-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.34
Rot. Bonds2

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

N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide (PubChem CID 953455) has the molecular formula C10H10N6OS and a molecular weight of 262.30 g/mol. Its IUPAC name is N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
PubChem CID953455
Molecular FormulaC10H10N6OS
Molecular Weight262.30 g/mol
Exact Mass262.06
IUPAC NameN-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
SMILESCn1nnc(NC(=S)NC(=O)c2ccccc2)n1
InChIInChI=1S/C10H10N6OS/c1-16-14-9(13-15-16)12-10(18)11-8(17)7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,14,17,18)
InChIKeyHUJQOHMOYGRIRS-UHFFFAOYSA-N
XLogP0.34
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide?
The IUPAC name of N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide (CID 953455) is N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide?
The canonical SMILES for N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide is Cn1nnc(NC(=S)NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide?
The InChIKey is HUJQOHMOYGRIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6OS/c1-16-14-9(13-15-16)12-10(18)11-8(17)7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,14,17,18).
What are the key properties of N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide?
N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide has a molecular weight of 262.30 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide is sourced from PubChem (CID 953455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).