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

C10H17N3O2S2 — CID 71787271

IUPACN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiadiazole-5-carboxamide
SMILESCSCCC(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)
InChIKeyMQDWDGYQPLGHIG-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.08
Rot. Bonds6

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

N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 71787271) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiadiazole-5-carboxamide
PubChem CID71787271
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC NameN-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiadiazole-5-carboxamide
SMILESCSCCC(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)
InChIKeyMQDWDGYQPLGHIG-UHFFFAOYSA-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

Analyze N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 49754470
N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-4-methylthiadiazole-5-carboxamide
CID 164637103
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 56724183
N-(2-hydroxy-2-methyl-3-(methylthio)propyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 71787175
N-((3-methoxytetrahydrothiophen-3-yl)methyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 71804822
N-{[(R)-3-methoxytetrahydro-3-thienyl]methyl}-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 97414567
(2R)-4-methylsulfanyl-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid
CID 28777285
(2S)-4-methylsulfanyl-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid
CID 28777287
4-Methylsulfanyl-2-[(4-methylthiadiazole-5-carbonyl)amino]butanoic acid
CID 43209729
N-(2-hydroxy-2-methylpropyl)-4-methylthiadiazole-5-carboxamide
CID 65110214
N-(2-ethyl-2-hydroxybutyl)-4-methylthiadiazole-5-carboxamide
CID 65112651
N-(2-hydroxy-2-methylbutyl)-4-methylthiadiazole-5-carboxamide
CID 65114433

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiadiazole-5-carboxamide (CID 71787271) is N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiadiazole-5-carboxamide is CSCCC(C)(O)CNC(=O)c1snnc1C.
What is the InChIKey of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is MQDWDGYQPLGHIG-UHFFFAOYSA-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).
What are the key properties of N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiadiazole-5-carboxamide?
N-(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-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 71787271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).