N-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide

C10H17N3O2S — CID 82725593

IUPACN-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NOC(C)(C)C
InChIInChI=1S/C10H17N3O2S/c1-6(2)7-8(16-13-11-7)9(14)12-15-10(3,4)5/h6H,1-5H3,(H,12,14)
InChIKeySUAZHFZNXHSESQ-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.12
Rot. Bonds3

About N-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide

N-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 82725593) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID82725593
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NOC(C)(C)C
InChIInChI=1S/C10H17N3O2S/c1-6(2)7-8(16-13-11-7)9(14)12-15-10(3,4)5/h6H,1-5H3,(H,12,14)
InChIKeySUAZHFZNXHSESQ-UHFFFAOYSA-N
XLogP2.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide (CID 82725593) is N-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)NOC(C)(C)C.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is SUAZHFZNXHSESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-6(2)7-8(16-13-11-7)9(14)12-15-10(3,4)5/h6H,1-5H3,(H,12,14).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide?
N-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 2.12, 3 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]-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 82725593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).