N-[(2-butyltetrazol-5-yl)carbamothioyl]hexanamide

C12H22N6OS — CID 3514841

IUPACN-[(2-butyltetrazol-5-yl)carbamothioyl]hexanamide
SMILESCCCCCC(=O)NC(=S)Nc1nnn(CCCC)n1
InChIInChI=1S/C12H22N6OS/c1-3-5-7-8-10(19)13-12(20)14-11-15-17-18(16-11)9-6-4-2/h3-9H2,1-2H3,(H2,13,14,16,19,20)
InChIKeyWTUGRSLUSKQVRM-UHFFFAOYSA-N
MW298.42 g/mol
LogP1.87
Rot. Bonds8

About N-[(2-butyltetrazol-5-yl)carbamothioyl]hexanamide

N-[(2-butyltetrazol-5-yl)carbamothioyl]hexanamide (PubChem CID 3514841) has the molecular formula C12H22N6OS and a molecular weight of 298.42 g/mol. Its IUPAC name is N-[(2-butyltetrazol-5-yl)carbamothioyl]hexanamide.

Molecular Properties

Compound NameN-[(2-butyltetrazol-5-yl)carbamothioyl]hexanamide
PubChem CID3514841
Molecular FormulaC12H22N6OS
Molecular Weight298.42 g/mol
Exact Mass298.16
IUPAC NameN-[(2-butyltetrazol-5-yl)carbamothioyl]hexanamide
SMILESCCCCCC(=O)NC(=S)Nc1nnn(CCCC)n1
InChIInChI=1S/C12H22N6OS/c1-3-5-7-8-10(19)13-12(20)14-11-15-17-18(16-11)9-6-4-2/h3-9H2,1-2H3,(H2,13,14,16,19,20)
InChIKeyWTUGRSLUSKQVRM-UHFFFAOYSA-N
XLogP1.87
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(2-butyltetrazol-5-yl)carbamothioyl]hexanamide 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]-2-(4-chlorophenyl)acetamide
CID 9185003
N-[(2-methyltetrazol-5-yl)carbamothioyl]butanamide
CID 5200751
N-[(2-butyltetrazol-5-yl)carbamothioyl]-4-propan-2-ylbenzamide
CID 4310789
(E)-N-[(2-butyltetrazol-5-yl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 17334434
N-(2-prop-2-enyltetrazol-5-yl)hexanamide
CID 17177295
N-[(2-butyltetrazol-5-yl)carbamothioyl]-4-phenylmethoxybenzamide
CID 3422099
4-methyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 959838
N-[(2-butyltetrazol-5-yl)carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 4030687
3,4,5-triethoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 5109132
N-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide
CID 953658
N-[(hexanoylamino)carbamothioyl]pentanamide
CID 4955659
2-(4-bromophenoxy)-N-(2-butyltetrazol-5-yl)-2-methylpropanamide
CID 30309531

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyltetrazol-5-yl)carbamothioyl]hexanamide?
The IUPAC name of N-[(2-butyltetrazol-5-yl)carbamothioyl]hexanamide (CID 3514841) is N-[(2-butyltetrazol-5-yl)carbamothioyl]hexanamide.
What is the SMILES notation for N-[(2-butyltetrazol-5-yl)carbamothioyl]hexanamide?
The canonical SMILES for N-[(2-butyltetrazol-5-yl)carbamothioyl]hexanamide is CCCCCC(=O)NC(=S)Nc1nnn(CCCC)n1.
What is the InChIKey of N-[(2-butyltetrazol-5-yl)carbamothioyl]hexanamide?
The InChIKey is WTUGRSLUSKQVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6OS/c1-3-5-7-8-10(19)13-12(20)14-11-15-17-18(16-11)9-6-4-2/h3-9H2,1-2H3,(H2,13,14,16,19,20).
What are the key properties of N-[(2-butyltetrazol-5-yl)carbamothioyl]hexanamide?
N-[(2-butyltetrazol-5-yl)carbamothioyl]hexanamide has a molecular weight of 298.42 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyltetrazol-5-yl)carbamothioyl]hexanamide is sourced from PubChem (CID 3514841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).