N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide

C11H19N3O2S — CID 102999194

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1snnc1C
InChIInChI=1S/C11H19N3O2S/c1-4-11(5-2,7-15)6-12-10(16)9-8(3)13-14-17-9/h15H,4-7H2,1-3H3,(H,12,16)
InChIKeyBCIGNATZTMBNRF-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.38
Rot. Bonds6

About N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 102999194) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide
PubChem CID102999194
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1snnc1C
InChIInChI=1S/C11H19N3O2S/c1-4-11(5-2,7-15)6-12-10(16)9-8(3)13-14-17-9/h15H,4-7H2,1-3H3,(H,12,16)
InChIKeyBCIGNATZTMBNRF-UHFFFAOYSA-N
XLogP1.38
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide (CID 102999194) is N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide is CCC(CC)(CO)CNC(=O)c1snnc1C.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is BCIGNATZTMBNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-11(5-2,7-15)6-12-10(16)9-8(3)13-14-17-9/h15H,4-7H2,1-3H3,(H,12,16).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 257.36 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 102999194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).