N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-4-methylthiadiazole-5-carboxamide

C10H17N3O3S — CID 164637103

IUPACN-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-4-methylthiadiazole-5-carboxamide
SMILESCOCC[C@](C)(O)CNC(=O)c1snnc1C
InChIInChI=1S/C10H17N3O3S/c1-7-8(17-13-12-7)9(14)11-6-10(2,15)4-5-16-3/h15H,4-6H2,1-3H3,(H,11,14)/t10-/m0/s1
InChIKeyTTWRGBPVDJVVKP-JTQLQIEISA-N
MW259.33 g/mol
LogP0.36
Rot. Bonds6

About N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-4-methylthiadiazole-5-carboxamide

N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 164637103) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-4-methylthiadiazole-5-carboxamide
PubChem CID164637103
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-4-methylthiadiazole-5-carboxamide
SMILESCOCC[C@](C)(O)CNC(=O)c1snnc1C
InChIInChI=1S/C10H17N3O3S/c1-7-8(17-13-12-7)9(14)11-6-10(2,15)4-5-16-3/h15H,4-6H2,1-3H3,(H,11,14)/t10-/m0/s1
InChIKeyTTWRGBPVDJVVKP-JTQLQIEISA-N
XLogP0.36
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-4-methylthiadiazole-5-carboxamide (CID 164637103) is N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-4-methylthiadiazole-5-carboxamide is COCC[C@](C)(O)CNC(=O)c1snnc1C.
What is the InChIKey of N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is TTWRGBPVDJVVKP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-7-8(17-13-12-7)9(14)11-6-10(2,15)4-5-16-3/h15H,4-6H2,1-3H3,(H,11,14)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-4-methylthiadiazole-5-carboxamide?
N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 164637103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).