N-[(2-methylpropan-2-yl)oxy]thiadiazole-5-carboxamide

C7H11N3O2S — CID 82724469

IUPACN-[(2-methylpropan-2-yl)oxy]thiadiazole-5-carboxamide
SMILESCC(C)(C)ONC(=O)c1cnns1
InChIInChI=1S/C7H11N3O2S/c1-7(2,3)12-9-6(11)5-4-8-10-13-5/h4H,1-3H3,(H,9,11)
InChIKeyGARGZNXHVLZBHJ-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.00
Rot. Bonds2

About N-[(2-methylpropan-2-yl)oxy]thiadiazole-5-carboxamide

N-[(2-methylpropan-2-yl)oxy]thiadiazole-5-carboxamide (PubChem CID 82724469) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]thiadiazole-5-carboxamide
PubChem CID82724469
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC NameN-[(2-methylpropan-2-yl)oxy]thiadiazole-5-carboxamide
SMILESCC(C)(C)ONC(=O)c1cnns1
InChIInChI=1S/C7H11N3O2S/c1-7(2,3)12-9-6(11)5-4-8-10-13-5/h4H,1-3H3,(H,9,11)
InChIKeyGARGZNXHVLZBHJ-UHFFFAOYSA-N
XLogP1.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.00
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

CID 81340799
CID 81340799
CID 22372976
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CID 135702361
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CID 141030507
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CID 161971015
CID 161971015
CID 175045830
CID 175045830
CID 45084532
CID 45084532
CID 47347607
CID 47347607
CID 60858232
CID 60858232
CID 61037669
CID 61037669
CID 79673171
CID 79673171
CID 83207460
CID 83207460

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]thiadiazole-5-carboxamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]thiadiazole-5-carboxamide (CID 82724469) is N-[(2-methylpropan-2-yl)oxy]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]thiadiazole-5-carboxamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]thiadiazole-5-carboxamide is CC(C)(C)ONC(=O)c1cnns1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]thiadiazole-5-carboxamide?
The InChIKey is GARGZNXHVLZBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-7(2,3)12-9-6(11)5-4-8-10-13-5/h4H,1-3H3,(H,9,11).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]thiadiazole-5-carboxamide?
N-[(2-methylpropan-2-yl)oxy]thiadiazole-5-carboxamide has a molecular weight of 201.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]thiadiazole-5-carboxamide is sourced from PubChem (CID 82724469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).