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

C7H12N6OS — CID 5200751

IUPACN-[(2-methyltetrazol-5-yl)carbamothioyl]butanamide
SMILESCCCC(=O)NC(=S)Nc1nnn(C)n1
InChIInChI=1S/C7H12N6OS/c1-3-4-5(14)8-7(15)9-6-10-12-13(2)11-6/h3-4H2,1-2H3,(H2,8,9,11,14,15)
InChIKeyUBDGYSIJLJIZAK-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.18
Rot. Bonds3

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

N-[(2-methyltetrazol-5-yl)carbamothioyl]butanamide (PubChem CID 5200751) has the molecular formula C7H12N6OS and a molecular weight of 228.28 g/mol. Its IUPAC name is N-[(2-methyltetrazol-5-yl)carbamothioyl]butanamide.

Molecular Properties

Compound NameN-[(2-methyltetrazol-5-yl)carbamothioyl]butanamide
PubChem CID5200751
Molecular FormulaC7H12N6OS
Molecular Weight228.28 g/mol
Exact Mass228.08
IUPAC NameN-[(2-methyltetrazol-5-yl)carbamothioyl]butanamide
SMILESCCCC(=O)NC(=S)Nc1nnn(C)n1
InChIInChI=1S/C7H12N6OS/c1-3-4-5(14)8-7(15)9-6-10-12-13(2)11-6/h3-4H2,1-2H3,(H2,8,9,11,14,15)
InChIKeyUBDGYSIJLJIZAK-UHFFFAOYSA-N
XLogP-0.18
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(2-methyltetrazol-5-yl)carbamothioyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-butyltetrazol-5-yl)carbamothioyl]hexanamide
CID 3514841
2,2-dimethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide
CID 933904
4-ethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 953458
2-(2-methylphenoxy)-N-[(2-methyltetrazol-5-yl)carbamothioyl]acetamide
CID 9185026
3-amino-N-(2-methyltetrazol-5-yl)propanamide
CID 126972725
3,5-dimethoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 931341
3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 931371
5-bromo-2-methoxy-3-methyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 2961322
N-[(2-butyltetrazol-5-yl)carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 9185003
5-(4-chlorophenyl)-N-[(2-methyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide
CID 17334481
4-methyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 959838
3,4,5-triethoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 5109132

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltetrazol-5-yl)carbamothioyl]butanamide?
The IUPAC name of N-[(2-methyltetrazol-5-yl)carbamothioyl]butanamide (CID 5200751) is N-[(2-methyltetrazol-5-yl)carbamothioyl]butanamide.
What is the SMILES notation for N-[(2-methyltetrazol-5-yl)carbamothioyl]butanamide?
The canonical SMILES for N-[(2-methyltetrazol-5-yl)carbamothioyl]butanamide is CCCC(=O)NC(=S)Nc1nnn(C)n1.
What is the InChIKey of N-[(2-methyltetrazol-5-yl)carbamothioyl]butanamide?
The InChIKey is UBDGYSIJLJIZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6OS/c1-3-4-5(14)8-7(15)9-6-10-12-13(2)11-6/h3-4H2,1-2H3,(H2,8,9,11,14,15).
What are the key properties of N-[(2-methyltetrazol-5-yl)carbamothioyl]butanamide?
N-[(2-methyltetrazol-5-yl)carbamothioyl]butanamide has a molecular weight of 228.28 g/mol, XLogP of -0.18, 3 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]butanamide is sourced from PubChem (CID 5200751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).