N-(3-butoxy-2,2-dimethylcyclobutyl)-N,4-dimethylthiadiazole-5-carboxamide

C15H25N3O2S — CID 102562965

IUPACN-(3-butoxy-2,2-dimethylcyclobutyl)-N,4-dimethylthiadiazole-5-carboxamide
SMILESCCCCOC1CC(N(C)C(=O)c2snnc2C)C1(C)C
InChIInChI=1S/C15H25N3O2S/c1-6-7-8-20-12-9-11(15(12,3)4)18(5)14(19)13-10(2)16-17-21-13/h11-12H,6-9H2,1-5H3
InChIKeyOTKMNWSHCICCAV-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.90
Rot. Bonds6

About N-(3-butoxy-2,2-dimethylcyclobutyl)-N,4-dimethylthiadiazole-5-carboxamide

N-(3-butoxy-2,2-dimethylcyclobutyl)-N,4-dimethylthiadiazole-5-carboxamide (PubChem CID 102562965) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(3-butoxy-2,2-dimethylcyclobutyl)-N,4-dimethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-butoxy-2,2-dimethylcyclobutyl)-N,4-dimethylthiadiazole-5-carboxamide
PubChem CID102562965
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(3-butoxy-2,2-dimethylcyclobutyl)-N,4-dimethylthiadiazole-5-carboxamide
SMILESCCCCOC1CC(N(C)C(=O)c2snnc2C)C1(C)C
InChIInChI=1S/C15H25N3O2S/c1-6-7-8-20-12-9-11(15(12,3)4)18(5)14(19)13-10(2)16-17-21-13/h11-12H,6-9H2,1-5H3
InChIKeyOTKMNWSHCICCAV-UHFFFAOYSA-N
XLogP2.90
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-butoxy-2,2-dimethylcyclobutyl)-N,4-dimethylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-butoxy-2,2-dimethylcyclobutyl)-N,4-dimethylthiadiazole-5-carboxamide (CID 102562965) is N-(3-butoxy-2,2-dimethylcyclobutyl)-N,4-dimethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-butoxy-2,2-dimethylcyclobutyl)-N,4-dimethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-butoxy-2,2-dimethylcyclobutyl)-N,4-dimethylthiadiazole-5-carboxamide is CCCCOC1CC(N(C)C(=O)c2snnc2C)C1(C)C.
What is the InChIKey of N-(3-butoxy-2,2-dimethylcyclobutyl)-N,4-dimethylthiadiazole-5-carboxamide?
The InChIKey is OTKMNWSHCICCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-6-7-8-20-12-9-11(15(12,3)4)18(5)14(19)13-10(2)16-17-21-13/h11-12H,6-9H2,1-5H3.
What are the key properties of N-(3-butoxy-2,2-dimethylcyclobutyl)-N,4-dimethylthiadiazole-5-carboxamide?
N-(3-butoxy-2,2-dimethylcyclobutyl)-N,4-dimethylthiadiazole-5-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxy-2,2-dimethylcyclobutyl)-N,4-dimethylthiadiazole-5-carboxamide is sourced from PubChem (CID 102562965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).