N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide

C9H15N3O2S — CID 61247372

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cnsn1
InChIInChI=1S/C9H15N3O2S/c1-6(2)3-7(5-13)11-9(14)8-4-10-15-12-8/h4,6-7,13H,3,5H2,1-2H3,(H,11,14)
InChIKeyRFUJOZUWEJGSEO-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.67
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 61247372) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID61247372
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cnsn1
InChIInChI=1S/C9H15N3O2S/c1-6(2)3-7(5-13)11-9(14)8-4-10-15-12-8/h4,6-7,13H,3,5H2,1-2H3,(H,11,14)
InChIKeyRFUJOZUWEJGSEO-UHFFFAOYSA-N
XLogP0.67
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide
CID 61246505
N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide
CID 61245282
N-(1-hydroxy-4-methylpentan-2-yl)pyrimidine-5-carboxamide
CID 104627101
2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 61247496
6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 63977631
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
N-(3-methyl-2-oxobutyl)-1,2,5-thiadiazole-3-carboxamide
CID 91648581
N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 61246953
N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
CID 61247488
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide
CID 61247345
N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 61246175
5-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-2-yl)-1,2-oxazole-3-carboxamide
CID 61245918

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide (CID 61247372) is N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide is CC(C)CC(CO)NC(=O)c1cnsn1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is RFUJOZUWEJGSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6(2)3-7(5-13)11-9(14)8-4-10-15-12-8/h4,6-7,13H,3,5H2,1-2H3,(H,11,14).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 229.31 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 61247372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).