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

C9H15N3O2S — CID 65114433

IUPACN-(2-hydroxy-2-methylbutyl)-4-methylthiadiazole-5-carboxamide
SMILESCCC(C)(O)CNC(=O)c1snnc1C
InChIInChI=1S/C9H15N3O2S/c1-4-9(3,14)5-10-8(13)7-6(2)11-12-15-7/h14H,4-5H2,1-3H3,(H,10,13)
InChIKeyQKEMOCAWLMPQOC-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.74
Rot. Bonds4

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

N-(2-hydroxy-2-methylbutyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 65114433) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-4-methylthiadiazole-5-carboxamide
PubChem CID65114433
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-(2-hydroxy-2-methylbutyl)-4-methylthiadiazole-5-carboxamide
SMILESCCC(C)(O)CNC(=O)c1snnc1C
InChIInChI=1S/C9H15N3O2S/c1-4-9(3,14)5-10-8(13)7-6(2)11-12-15-7/h14H,4-5H2,1-3H3,(H,10,13)
InChIKeyQKEMOCAWLMPQOC-UHFFFAOYSA-N
XLogP0.74
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethyl-2-hydroxyethyl)(4-methyl(1,2,3-thiadiazol-5-yl))carboxamide
CID 6852055
N-[(1-hydroxycyclopentyl)methyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 49754470
N-((1-(hydroxymethyl)cyclopropyl)methyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 49739075
N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide
CID 91651649
N-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-4-methylthiadiazole-5-carboxamide
CID 164637103
4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 102979954
N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide
CID 103015388
N-(3,3-difluoro-2-hydroxypropyl)-4-methylthiadiazole-5-carboxamide
CID 103579476
N-(3-hydroxy-3-(trifluoromethyl)piperidin-4-yl)-N,4-dimethyl-1,2,3-thiadiazole-5-carboxamide
CID 177926606
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-(2-hydroxy-2-methyl-4-(methylthio)butyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 71787271

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-4-methylthiadiazole-5-carboxamide (CID 65114433) is N-(2-hydroxy-2-methylbutyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-4-methylthiadiazole-5-carboxamide is CCC(C)(O)CNC(=O)c1snnc1C.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is QKEMOCAWLMPQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-4-9(3,14)5-10-8(13)7-6(2)11-12-15-7/h14H,4-5H2,1-3H3,(H,10,13).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-4-methylthiadiazole-5-carboxamide?
N-(2-hydroxy-2-methylbutyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 229.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 65114433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).