N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiadiazole-5-carboxamide

C10H17N3O2S2 — CID 95984280

IUPACN-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiadiazole-5-carboxamide
SMILESCSCC[C@@](C)(O)CNC(=O)c1snnc1C
InChIInChI=1S/C10H17N3O2S2/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-/m1/s1
InChIKeyMQDWDGYQPLGHIG-SNVBAGLBSA-N
MW275.40 g/mol
LogP1.08
Rot. Bonds6

About N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiadiazole-5-carboxamide

N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 95984280) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiadiazole-5-carboxamide
PubChem CID95984280
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC NameN-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiadiazole-5-carboxamide
SMILESCSCC[C@@](C)(O)CNC(=O)c1snnc1C
InChIInChI=1S/C10H17N3O2S2/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-/m1/s1
InChIKeyMQDWDGYQPLGHIG-SNVBAGLBSA-N
XLogP1.08
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiadiazole-5-carboxamide (CID 95984280) is N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiadiazole-5-carboxamide is CSCC[C@@](C)(O)CNC(=O)c1snnc1C.
What is the InChIKey of N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is MQDWDGYQPLGHIG-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17N3O2S2/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-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiadiazole-5-carboxamide?
N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 95984280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).