N-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide

C11H19N3O2S — CID 102979948

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C11H19N3O2S/c1-7-9(17-14-13-7)10(16)12-6-8(15)5-11(2,3)4/h8,15H,5-6H2,1-4H3,(H,12,16)
InChIKeyZVKYEWKXCYROIV-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.37
Rot. Bonds4

About N-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide

N-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 102979948) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide
PubChem CID102979948
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C11H19N3O2S/c1-7-9(17-14-13-7)10(16)12-6-8(15)5-11(2,3)4/h8,15H,5-6H2,1-4H3,(H,12,16)
InChIKeyZVKYEWKXCYROIV-UHFFFAOYSA-N
XLogP1.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide (CID 102979948) is N-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC(O)CC(C)(C)C.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is ZVKYEWKXCYROIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-7-9(17-14-13-7)10(16)12-6-8(15)5-11(2,3)4/h8,15H,5-6H2,1-4H3,(H,12,16).
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide?
N-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 257.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 102979948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).