N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-methylthiadiazole-5-carboxamide

C9H15N3O2S2 — CID 95984096

IUPACN-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-methylthiadiazole-5-carboxamide
SMILESCSC[C@@](C)(O)CNC(=O)c1snnc1C
InChIInChI=1S/C9H15N3O2S2/c1-6-7(16-12-11-6)8(13)10-4-9(2,14)5-15-3/h14H,4-5H2,1-3H3,(H,10,13)/t9-/m0/s1
InChIKeyWBURJPCRXOGQPP-VIFPVBQESA-N
MW261.37 g/mol
LogP0.69
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-methylthiadiazole-5-carboxamide

N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 95984096) has the molecular formula C9H15N3O2S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-methylthiadiazole-5-carboxamide
PubChem CID95984096
Molecular FormulaC9H15N3O2S2
Molecular Weight261.37 g/mol
Exact Mass261.06
IUPAC NameN-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-methylthiadiazole-5-carboxamide
SMILESCSC[C@@](C)(O)CNC(=O)c1snnc1C
InChIInChI=1S/C9H15N3O2S2/c1-6-7(16-12-11-6)8(13)10-4-9(2,14)5-15-3/h14H,4-5H2,1-3H3,(H,10,13)/t9-/m0/s1
InChIKeyWBURJPCRXOGQPP-VIFPVBQESA-N
XLogP0.69
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.69
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-2-methyl-3-methylsulfanylpropyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-methylthiadiazole-5-carboxamide (CID 95984096) is N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-methylthiadiazole-5-carboxamide is CSC[C@@](C)(O)CNC(=O)c1snnc1C.
What is the InChIKey of N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is WBURJPCRXOGQPP-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15N3O2S2/c1-6-7(16-12-11-6)8(13)10-4-9(2,14)5-15-3/h14H,4-5H2,1-3H3,(H,10,13)/t9-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-methylthiadiazole-5-carboxamide?
N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 95984096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).