N-(2-ethyl-2-hydroxybutyl)-4-methylthiadiazole-5-carboxamide

C10H17N3O2S — CID 65112651

IUPACN-(2-ethyl-2-hydroxybutyl)-4-methylthiadiazole-5-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1snnc1C
InChIInChI=1S/C10H17N3O2S/c1-4-10(15,5-2)6-11-9(14)8-7(3)12-13-16-8/h15H,4-6H2,1-3H3,(H,11,14)
InChIKeyVMLZVAFNZUHRBD-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.13
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-4-methylthiadiazole-5-carboxamide

N-(2-ethyl-2-hydroxybutyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 65112651) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-4-methylthiadiazole-5-carboxamide
PubChem CID65112651
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-4-methylthiadiazole-5-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1snnc1C
InChIInChI=1S/C10H17N3O2S/c1-4-10(15,5-2)6-11-9(14)8-7(3)12-13-16-8/h15H,4-6H2,1-3H3,(H,11,14)
InChIKeyVMLZVAFNZUHRBD-UHFFFAOYSA-N
XLogP1.13
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.13
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
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
4-methyl-N-(2-methylpropyl)thiadiazole-5-carboxamide
CID 7576675
N-[3-(dimethylamino)propyl]-4-methylthiadiazole-5-carboxamide
CID 7576683
4-methyl-N-pentylthiadiazole-5-carboxamide
CID 7576690
N-butyl-4-methylthiadiazole-5-carboxamide
CID 20383917

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-4-methylthiadiazole-5-carboxamide (CID 65112651) is N-(2-ethyl-2-hydroxybutyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-4-methylthiadiazole-5-carboxamide is CCC(O)(CC)CNC(=O)c1snnc1C.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is VMLZVAFNZUHRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-4-10(15,5-2)6-11-9(14)8-7(3)12-13-16-8/h15H,4-6H2,1-3H3,(H,11,14).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-4-methylthiadiazole-5-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 65112651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).