N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide

C8H13N3O2S — CID 79383991

IUPACN-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1cnns1
InChIInChI=1S/C8H13N3O2S/c1-8(2,13)5-11(3)7(12)6-4-9-10-14-6/h4,13H,5H2,1-3H3
InChIKeyNPXIKAATOXAXTH-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.38
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide

N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide (PubChem CID 79383991) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide
PubChem CID79383991
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1cnns1
InChIInChI=1S/C8H13N3O2S/c1-8(2,13)5-11(3)7(12)6-4-9-10-14-6/h4,13H,5H2,1-3H3
InChIKeyNPXIKAATOXAXTH-UHFFFAOYSA-N
XLogP0.38
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide (CID 79383991) is N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide is CN(CC(C)(C)O)C(=O)c1cnns1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide?
The InChIKey is NPXIKAATOXAXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-8(2,13)5-11(3)7(12)6-4-9-10-14-6/h4,13H,5H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide?
N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide has a molecular weight of 215.28 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 79383991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).