N-(2-hydroxy-2-methylpropyl)-4-methylthiadiazole-5-carboxamide

C8H13N3O2S — CID 65110214

IUPACN-(2-hydroxy-2-methylpropyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(C)(C)O
InChIInChI=1S/C8H13N3O2S/c1-5-6(14-11-10-5)7(12)9-4-8(2,3)13/h13H,4H2,1-3H3,(H,9,12)
InChIKeyFEFLNGOIQARDIL-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.35
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-4-methylthiadiazole-5-carboxamide

N-(2-hydroxy-2-methylpropyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 65110214) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-4-methylthiadiazole-5-carboxamide
PubChem CID65110214
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-(2-hydroxy-2-methylpropyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(C)(C)O
InChIInChI=1S/C8H13N3O2S/c1-5-6(14-11-10-5)7(12)9-4-8(2,3)13/h13H,4H2,1-3H3,(H,9,12)
InChIKeyFEFLNGOIQARDIL-UHFFFAOYSA-N
XLogP0.35
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-4-methylthiadiazole-5-carboxamide (CID 65110214) is N-(2-hydroxy-2-methylpropyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is FEFLNGOIQARDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5-6(14-11-10-5)7(12)9-4-8(2,3)13/h13H,4H2,1-3H3,(H,9,12).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-4-methylthiadiazole-5-carboxamide?
N-(2-hydroxy-2-methylpropyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 215.28 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 65110214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).