4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide

C11H19N3O2S — CID 86807030

IUPAC4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide
SMILESCOCCCNC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C11H19N3O2S/c1-11(2,3)9-8(17-14-13-9)10(15)12-6-5-7-16-4/h5-7H2,1-4H3,(H,12,15)
InChIKeyGSANXBONRNHIHL-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.60
Rot. Bonds5

About 4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide

4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide (PubChem CID 86807030) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide
PubChem CID86807030
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide
SMILESCOCCCNC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C11H19N3O2S/c1-11(2,3)9-8(17-14-13-9)10(15)12-6-5-7-16-4/h5-7H2,1-4H3,(H,12,15)
InChIKeyGSANXBONRNHIHL-UHFFFAOYSA-N
XLogP1.60
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide (CID 86807030) is 4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide is COCCCNC(=O)c1snnc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide?
The InChIKey is GSANXBONRNHIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(2,3)9-8(17-14-13-9)10(15)12-6-5-7-16-4/h5-7H2,1-4H3,(H,12,15).
What are the key properties of 4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide?
4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide has a molecular weight of 257.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 86807030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).