4-tert-butyl-N-ethoxythiadiazole-5-carboxamide

C9H15N3O2S — CID 65210050

IUPAC4-tert-butyl-N-ethoxythiadiazole-5-carboxamide
SMILESCCONC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C9H15N3O2S/c1-5-14-11-8(13)6-7(9(2,3)4)10-12-15-6/h5H2,1-4H3,(H,11,13)
InChIKeyWSKWGDDLLCDCIL-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.52
Rot. Bonds3

About 4-tert-butyl-N-ethoxythiadiazole-5-carboxamide

4-tert-butyl-N-ethoxythiadiazole-5-carboxamide (PubChem CID 65210050) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-tert-butyl-N-ethoxythiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-ethoxythiadiazole-5-carboxamide
PubChem CID65210050
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name4-tert-butyl-N-ethoxythiadiazole-5-carboxamide
SMILESCCONC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C9H15N3O2S/c1-5-14-11-8(13)6-7(9(2,3)4)10-12-15-6/h5H2,1-4H3,(H,11,13)
InChIKeyWSKWGDDLLCDCIL-UHFFFAOYSA-N
XLogP1.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
CID 81343431
4-tert-butyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
CID 82721362
4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
CID 82722344
4-propyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
CID 82722345
4-Isopropyl-1,2,3-thiadiazole-5-carboxamide
CID 17984106
4-Ethyl-1,2,3-thiadiazole-5-carboxamide
CID 45084470
4-cyclopropyl-N-methoxythiadiazole-5-carboxamide
CID 130718638
N-ethoxy-4-ethylthiadiazole-5-carboxamide
CID 43048038
4-ethyl-N-methoxythiadiazole-5-carboxamide
CID 60701188
2-[(4-Propan-2-ylthiadiazole-5-carbonyl)amino]oxyacetic acid
CID 65204212
N-methoxy-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204528
N-methoxy-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204824

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-ethoxythiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-ethoxythiadiazole-5-carboxamide (CID 65210050) is 4-tert-butyl-N-ethoxythiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-ethoxythiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-ethoxythiadiazole-5-carboxamide is CCONC(=O)c1snnc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-ethoxythiadiazole-5-carboxamide?
The InChIKey is WSKWGDDLLCDCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-5-14-11-8(13)6-7(9(2,3)4)10-12-15-6/h5H2,1-4H3,(H,11,13).
What are the key properties of 4-tert-butyl-N-ethoxythiadiazole-5-carboxamide?
4-tert-butyl-N-ethoxythiadiazole-5-carboxamide has a molecular weight of 229.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-ethoxythiadiazole-5-carboxamide is sourced from PubChem (CID 65210050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).