N-tert-butyl-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-amine

C10H19N3OS — CID 171750985

IUPACN-tert-butyl-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-amine
SMILESCCOCCc1nnc(NC(C)(C)C)s1
InChIInChI=1S/C10H19N3OS/c1-5-14-7-6-8-12-13-9(15-8)11-10(2,3)4/h5-7H2,1-4H3,(H,11,13)
InChIKeyPPNADZIDSLMJKX-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.33
Rot. Bonds5

About N-tert-butyl-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-amine

N-tert-butyl-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 171750985) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-tert-butyl-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-amine
PubChem CID171750985
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC NameN-tert-butyl-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-amine
SMILESCCOCCc1nnc(NC(C)(C)C)s1
InChIInChI=1S/C10H19N3OS/c1-5-14-7-6-8-12-13-9(15-8)11-10(2,3)4/h5-7H2,1-4H3,(H,11,13)
InChIKeyPPNADZIDSLMJKX-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
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-tert-butyl-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-tert-butyl-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-amine (CID 171750985) is N-tert-butyl-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-tert-butyl-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-amine is CCOCCc1nnc(NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is PPNADZIDSLMJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-5-14-7-6-8-12-13-9(15-8)11-10(2,3)4/h5-7H2,1-4H3,(H,11,13).
What are the key properties of N-tert-butyl-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-amine?
N-tert-butyl-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 229.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 171750985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).